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164390-30-1 | 3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester
CAS No: 164390-30-1 Catalog No: AG001UV0 MDL No:MFCD18416519
Product Description
Catalog Number:
AG001UV0
Chemical Name:
3-Pyridinecarboxylic acid, 4-chloro-2-methyl-, ethyl ester
CAS Number:
164390-30-1
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD18416519
IUPAC Name:
ethyl 4-chloro-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H10ClNO2/c1-3-13-9(12)8-6(2)11-5-4-7(8)10/h4-5H,3H2,1-2H3
InChI Key:
MDYABHQFTKUSJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)ccnc1C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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