Benzoic acid, 2-iodo-,ion(1-) | 16887-77-7
英文名称:
Benzoic acid, 2-iodo-,ion(1-)
CAS No.:
16887-77-7
分子式:
C7 H4 O2 I-
分子量:
247.00946
名称和标识符
InChIKey
CJNZAXGUTKBIHP-UHFFFAOYSA-M
Inchi
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/p-1
SMILES
O=C(C1=CC=CC=C1I)[O-]
别名信息
- 英文别名 -
Benzoic acid, 2-iodo-,ion(1-)
2-Iodobenzoate
Benzoicacid, o-iodo-, ion(1-) (8CI)
DTXSID401306766
CHEBI:59122
o-iodobenzoate
Benzoic acid, o-iodo-, ion(1-)
Q27126473
2-iodobenzoate
Benzoic acid, 2-iodo-, ion(1-)
16887-77-7
CJNZAXGUTKBIHP-UHFFFAOYSA-M
物化性质
实验特性
计算特性
精确分子量
246.92512
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
0
同位素质量
246.92560g/mol
重原子数量
10
复杂度
130
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
3
拓扑分子极性表面积
40.1Ų
相关文献
1.
Accessing highly functionalized cyclopentanoids via a cascade palladation approach: unprecedented benzylic C–H activation towards cyclopentenoindanes
P. V. Santhini,A. S. Smrithy,C. P. Irfana Jesin,Sunil Varughese,Jubi John,K. V. Radhakrishnan Chem. Commun. 2018 54 2982
2.
Diversity-oriented synthesis of fused thioglycosyl benzo[e][1,4]oxathiepin-5-ones and benzo[f][1,4]thiazepin-5(2H)-ones by a sequence of palladium-catalyzed glycosyl thiol arylation and deprotection–lactonization reactions
Riyadh Ahmed Atto AL-Shuaeeb,Gilles Galvani,Guillaume Bernadat,Jean-Daniel Brion,Mouad Alami,Samir Messaoudi Org. Biomol. Chem. 2015 13 10904
3.
Palladium-catalyzed annulation reactions of methyl o-halobenzoates with azabicyclic alkenes: a general protocol for the construction of benzo[c]phenanthridine derivatives
Cui Guo,Kanglun Huang,Bo Wang,Longguang Xie,Xiaohua Xu RSC Adv. 2013 3 17271
4.
Water-mediated supramolecular architecture of Co(iii)–phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions
Ajnesh Singh,Raj P. Sharma,Thammarat Aree,Paloth Venugopalan CrystEngComm 2013 15 1153
5.
Insights into the elementary steps in Negishi coupling through kinetic investigations
Liqun Jin,Aiwen Lei Org. Biomol. Chem. 2012 10 6817
6.
Total synthesis of (12R)- and (12S)-12-hydroxymonocerins: stereoselective oxylactonization using a chiral hypervalent iodine(iii) species
Morifumi Fujita,Kazuhiro Mori,Mio Shimogaki,Takashi Sugimura RSC Adv. 2013 3 17717
7.
Convenient, functional group-tolerant, transition metal-free synthesis of aryl and heteroaryl trifluoromethyl ketones with the use of methyl trifluoroacetate
Kazumasa Funabiki,Ayaka Hayakawa,Toshiyasu Inuzuka Org. Biomol. Chem. 2018 16 913
8.
Acid–base-sensitive allylic oxidation of 2-allylbenzoic acids to form phthalides
Le Thi Ngoc Chuc,Thi Anh Hong Nguyen,Duen-Ren Hou Org. Biomol. Chem. 2020 18 2758
9.
Efficient trifluoromethylation via the cyclopropanation of allenes and subsequent C–C bond cleavage
Yang Tang,Qiong Yu,Shengming Ma Org. Chem. Front. 2017 4 1762
10.
Substrate-controlled C–H or C–C alkynylation of cyclopropanes: generation of aryl radical cations by direct light activation of hypervalent iodine reagents
Tin V. T. Nguyen,Matthew D. Wodrich,Jerome Waser Chem. Sci. 2022 13 12831