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124796-97-0

124796-97-0 | 3-Pyridinecarboxylic acid, 2-(chloromethyl)-5-methyl-, ethyl ester

CAS No: 124796-97-0 Catalog No: AG000MR3 MDL No:

Product Description

Catalog Number:
AG000MR3
Chemical Name:
3-Pyridinecarboxylic acid, 2-(chloromethyl)-5-methyl-, ethyl ester
CAS Number:
124796-97-0
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
ethyl 2-(chloromethyl)-5-methylpyridine-3-carboxylate
InChI:
InChI=1S/C10H12ClNO2/c1-3-14-10(13)8-4-7(2)6-12-9(8)5-11/h4,6H,3,5H2,1-2H3
InChI Key:
QFBRIFBWBLEBMM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cnc1CCl

Properties

Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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