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887976-19-4 | 6-(3-Chlorophenyl)nicotinic acid
CAS No: 887976-19-4 Catalog No: AG004B09 MDL No:MFCD06410393
Product Description
Catalog Number:
AG004B09
Chemical Name:
6-(3-Chlorophenyl)nicotinic acid
CAS Number:
887976-19-4
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD06410393
IUPAC Name:
6-(3-chlorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8ClNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChI Key:
NWBCIKJWYVAJLJ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1ccc(cn1)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.024g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.651g/mol
Monoisotopic Mass:
233.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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