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1214352-99-4 | 2-Pyridinecarboxylic acid, 6-chloro-5-phenyl-
CAS No: 1214352-99-4 Catalog No: AG0014W2 MDL No:MFCD14701688
Product Description
Catalog Number:
AG0014W2
Chemical Name:
2-Pyridinecarboxylic acid, 6-chloro-5-phenyl-
CAS Number:
1214352-99-4
Molecular Formula:
C12H8ClNO2
Molecular Weight:
233.6504
MDL Number:
MFCD14701688
IUPAC Name:
6-chloro-5-phenylpyridine-2-carboxylic acid
InChI:
InChI=1S/C12H8ClNO2/c13-11-9(8-4-2-1-3-5-8)6-7-10(14-11)12(15)16/h1-7H,(H,15,16)
InChI Key:
ZQVTXPUVKSEURY-UHFFFAOYSA-N
SMILES:
Clc1nc(ccc1c1ccccc1)C(=O)O
Properties
Complexity:
253
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:
3.3
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