Cas no 290326-11-3 (Benzoic acid, 4-(2-pyrimidinyl)-, hydrochloride (9CI))
290326-11-3 structure
Product Name:Benzoic acid, 4-(2-pyrimidinyl)-, hydrochloride (9CI)
CAS No:290326-11-3
MF:C11H9ClN2O2
MW:236.654361486435
CID:915325
PubChem ID:45117414
Update Time:2025-04-19
Benzoic acid, 4-(2-pyrimidinyl)-, hydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(2-pyrimidinyl)-, hydrochloride (9CI)
- 4-(2-Pyrimidinyl)benzoic acid hydrochloride
- 4-(Pyrimidin-2-yl)benzoic acid hydrochloride
- 835923-23-4
- 290326-11-3
- 4-(Pyrimidin-2-yl)benzoic acid xhydrochloride
-
- Inchi： 1S/C11H8N2O2.ClH/c14-11(15)9-4-2-8(3-5-9)10-12-6-1-7-13-10;/h1-7H,(H,14,15);1H
- InChI Key： DERLEQHDSMQZTP-UHFFFAOYSA-N
- SMILES： Cl.OC(C1C=CC(C2N=CC=CN=2)=CC=1)=O
Computed Properties
- Exact Mass: 236.0352552g/mol
- Monoisotopic Mass: 236.0352552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 63.1?2
Benzoic acid, 4-(2-pyrimidinyl)-, hydrochloride (9CI) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
290326-11-3 (Benzoic acid, 4-(2-pyrimidinyl)-, hydrochloride (9CI)) Related Products
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