Cas no 835923-23-4 (Benzoic acid,4-(2-pyrimidinyl)-, hydrochloride (1:1))
835923-23-4 structure
Product Name:Benzoic acid,4-(2-pyrimidinyl)-, hydrochloride (1:1)
CAS No:835923-23-4
MF:C11H9ClN2O2
MW:236.654361486435
CID:716184
PubChem ID:45117414
Update Time:2025-04-19
Benzoic acid,4-(2-pyrimidinyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(2-pyrimidinyl)-, hydrochloride (1:1)
- Benzoic acid, 4-(2-pyrimidinyl)-, monohydrochloride (9CI)
- 4-(Pyrimidin-2-yl)benzoic acid hydrochloride
- 4-(Pyrimidin-2-yl)benzoic acid xhydrochloride
- 835923-23-4
- 4-(2-Pyrimidinyl)benzoic acid hydrochloride
- 290326-11-3
-
- 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: 236.035
- Monoisotopic Mass: 236.035
- 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: 63.1A^2
Benzoic acid,4-(2-pyrimidinyl)-, hydrochloride (1:1) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
835923-23-4 (Benzoic acid,4-(2-pyrimidinyl)-, hydrochloride (1:1)) Related Products
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