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Home > Pyridines > 2059932-87-3
2059932-87-3 | 2-(pyridin-4-yl)benzoic acid hydrochloride
CAS No: 2059932-87-3 Catalog No: AG01BVRZ MDL No:MFCD30497645
Product Description
Catalog Number:
AG01BVRZ
Chemical Name:
2-(pyridin-4-yl)benzoic acid hydrochloride
CAS Number:
2059932-87-3
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD30497645
IUPAC Name:
2-pyridin-4-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C12H9NO2.ClH/c14-12(15)11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-8H,(H,14,15);1H
InChI Key:
RLESHHIZKAWJTR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1c1ccncc1.Cl
Properties
Complexity:
224
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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