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177785-14-7 | 3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl ester
CAS No: 177785-14-7 Catalog No: AG0025JG MDL No:MFCD10699438
Product Description
Catalog Number:
AG0025JG
Chemical Name:
3-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl ester
CAS Number:
177785-14-7
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD10699438
IUPAC Name:
methyl 2-(chloromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-4-10-7(6)5-9/h2-4H,5H2,1H3
InChI Key:
AMIVNKVBDFJAFD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccnc1CCl
Properties
Complexity:
163
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:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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