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124797-01-9 | 3-Pyridinecarboxylic acid, 2-(chloromethyl)-, ethyl ester
CAS No: 124797-01-9 Catalog No: AG000MR1 MDL No:
Product Description
Catalog Number:
AG000MR1
Chemical Name:
3-Pyridinecarboxylic acid, 2-(chloromethyl)-, ethyl ester
CAS Number:
124797-01-9
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
IUPAC Name:
ethyl 2-(chloromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-4-3-5-11-8(7)6-10/h3-5H,2,6H2,1H3
InChI Key:
PXJWOQNJCGKGAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccnc1CCl
Properties
Complexity:
175
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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