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1261564-12-8 | 2-Pyridinecarboxylic acid, 4-chloro-3-methyl-, ethyl ester
CAS No: 1261564-12-8 Catalog No: AG000RTX MDL No:
Product Description
Catalog Number:
AG000RTX
Chemical Name:
2-Pyridinecarboxylic acid, 4-chloro-3-methyl-, ethyl ester
CAS Number:
1261564-12-8
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
ethyl 4-chloro-3-methylpyridine-2-carboxylate
InChI:
InChI=1S/C9H10ClNO2/c1-3-13-9(12)8-6(2)7(10)4-5-11-8/h4-5H,3H2,1-2H3
InChI Key:
BKXKPCHANVYTJG-UHFFFAOYSA-N
SMILES:
Cc1c(nccc1Cl)C(=O)OCC
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:
2.4
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