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1224464-97-4 | 3-Pyridinecarboxylic acid, 6-chloro-4-methyl-, methyl ester
CAS No: 1224464-97-4 Catalog No: AG00178F MDL No:MFCD18258050
Product Description
Catalog Number:
AG00178F
Chemical Name:
3-Pyridinecarboxylic acid, 6-chloro-4-methyl-, methyl ester
CAS Number:
1224464-97-4
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD18258050
IUPAC Name:
methyl 6-chloro-4-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO2/c1-5-3-7(9)10-4-6(5)8(11)12-2/h3-4H,1-2H3
InChI Key:
BQVXASUNSLLUGY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(cc1C)Cl
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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