Cas no 222987-89-5 (Benzoic acid, 4-(4-pyridinyl)-, hydrochloride)
222987-89-5 structure
Product Name:Benzoic acid, 4-(4-pyridinyl)-, hydrochloride
CAS No:222987-89-5
MF:C12H10ClNO2
MW:235.666302204132
CID:1412263
PubChem ID:57432607
Update Time:2025-04-20
Benzoic acid, 4-(4-pyridinyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(4-pyridinyl)-, hydrochloride
- 222987-89-5
- 4-pyridin-4-yl-benzoic acid hydrochloride salt
- VGFXUFMWKKSURP-UHFFFAOYSA-N
- SCHEMBL742422
- 4-(4-pyridyl)benzoic acid hydrochloride
- DB-194762
- 4-(Pyridin-4-yl)benzoic acid hydrochloride
- 4-(4-Pridyl)benzoic acid hydrochloride
-
- Inchi： 1S/C12H9NO2.ClH/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-8H,(H,14,15);1H
- InChI Key： VGFXUFMWKKSURP-UHFFFAOYSA-N
- SMILES： Cl.OC(C1C=CC(=CC=1)C1C=CN=CC=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: 216
- 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-(4-pyridinyl)-, hydrochloride Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
222987-89-5 (Benzoic acid, 4-(4-pyridinyl)-, hydrochloride) Related Products
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- 4385-78-8(3,4-PBC)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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