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173435-41-1 | 4-Pyridinecarboxylic acid, 3-amino-2-chloro-, methyl ester
CAS No: 173435-41-1 Catalog No: AG001YWK MDL No:MFCD03411723
Product Description
Catalog Number:
AG001YWK
Chemical Name:
4-Pyridinecarboxylic acid, 3-amino-2-chloro-, methyl ester
CAS Number:
173435-41-1
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD03411723
IUPAC Name:
methyl 3-amino-2-chloropyridine-4-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,9H2,1H3
InChI Key:
KSZMBXHYSQDICN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1N)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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