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1801256-82-5 | 3-Pyridinecarboxylic acid, 5-(chloromethyl)-, ethyl ester, hydrochloride (1:1)
CAS No: 1801256-82-5 Catalog No: AG0021OY MDL No:
Product Description
Catalog Number:
AG0021OY
Chemical Name:
3-Pyridinecarboxylic acid, 5-(chloromethyl)-, ethyl ester, hydrochloride (1:1)
CAS Number:
1801256-82-5
Molecular Formula:
C9H11Cl2NO2
Molecular Weight:
236.0951
IUPAC Name:
ethyl 5-(chloromethyl)pyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C9H10ClNO2.ClH/c1-2-13-9(12)8-3-7(4-10)5-11-6-8;/h3,5-6H,2,4H2,1H3;1H
InChI Key:
JGXPYVRSKILRJN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(c1)CCl.Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.092g/mol
Monoisotopic Mass:
235.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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