Cas no 222986-74-5 (Benzoic acid, 4-(2-pyridinyl)-, hydrochloride)
222986-74-5 structure
Product Name:Benzoic acid, 4-(2-pyridinyl)-, hydrochloride
CAS No:222986-74-5
MF:C12H10ClNO2
MW:235.666302204132
CID:1407668
PubChem ID:68499643
Update Time:2025-04-20
Benzoic acid, 4-(2-pyridinyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(2-pyridinyl)-, hydrochloride
- DB-194759
- 4-(2-pyridyl)benzoic acid hydrochloride
- 4-(pyridin-2-yl)benzoic acid hydrochloride
- 4-pyridin-2-yl-benzoic acid hydrochloride
- 222986-74-5
- BMVYFDQFGGMZLY-UHFFFAOYSA-N
- SCHEMBL3066744
-
- Inchi： 1S/C12H9NO2.ClH/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h1-8H,(H,14,15);1H
- InChI Key： BMVYFDQFGGMZLY-UHFFFAOYSA-N
- SMILES： Cl.OC(C1C=CC(=CC=1)C1C=CC=CN=1)=O
Computed Properties
- Exact Mass: 235.0401
- Monoisotopic Mass: 235.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 222
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
Benzoic acid, 4-(2-pyridinyl)-, hydrochloride Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
222986-74-5 (Benzoic acid, 4-(2-pyridinyl)-, hydrochloride) Related Products
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