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Home > Pyridines > 175153-10-3
175153-10-3 | Benzoic acid, 4-(3-pyridinyl)-, hydrochloride (1:1)
CAS No: 175153-10-3 Catalog No: AG0020D2 MDL No:
Product Description
Catalog Number:
AG0020D2
Chemical Name:
Benzoic acid, 4-(3-pyridinyl)-, hydrochloride (1:1)
CAS Number:
175153-10-3
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
IUPAC Name:
4-pyridin-3-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C12H9NO2.ClH/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;/h1-8H,(H,14,15);1H
InChI Key:
BJTUFABCKIEIGB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1cccnc1.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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