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30235-20-2 | 2-Pyridinecarboxylic acid, 4-chloro-3-methyl-
CAS No: 30235-20-2 Catalog No: AG002ZCB MDL No:MFCD09834848
Product Description
Catalog Number:
AG002ZCB
Chemical Name:
2-Pyridinecarboxylic acid, 4-chloro-3-methyl-
CAS Number:
30235-20-2
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD09834848
IUPAC Name:
4-chloro-3-methylpyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6ClNO2/c1-4-5(8)2-3-9-6(4)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
ASZXAHFQIARKCC-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1C)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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