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1261934-19-3 | 3-Pyridinecarboxylic acid, 5-(3-chloro-4-methylphenyl)-
CAS No: 1261934-19-3 Catalog No: AG000S7J MDL No:MFCD18317590
Product Description
Catalog Number:
AG000S7J
Chemical Name:
3-Pyridinecarboxylic acid, 5-(3-chloro-4-methylphenyl)-
CAS Number:
1261934-19-3
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
MDL Number:
MFCD18317590
IUPAC Name:
5-(3-chloro-4-methylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H10ClNO2/c1-8-2-3-9(5-12(8)14)10-4-11(13(16)17)7-15-6-10/h2-7H,1H3,(H,16,17)
InChI Key:
JDWNMCYMVAHOMG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1ccc(c(c1)Cl)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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