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1260764-76-8 | 2-Pyridinecarboxylic acid, 4-chloro-3-methyl-, methyl ester
CAS No: 1260764-76-8 Catalog No: AG000R6V MDL No:MFCD09839160
Product Description
Catalog Number:
AG000R6V
Chemical Name:
2-Pyridinecarboxylic acid, 4-chloro-3-methyl-, methyl ester
CAS Number:
1260764-76-8
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD09839160
IUPAC Name:
methyl 4-chloro-3-methylpyridine-2-carboxylate
InChI:
InChI=1S/C8H8ClNO2/c1-5-6(9)3-4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChI Key:
VAWDFIIBJHTUAH-UHFFFAOYSA-N
SMILES:
Cc1c(nccc1Cl)C(=O)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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