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1154-82-1 | 2-Pyrazinecarboxylic acid, 3-amino-6-chloro-5-[(phenylmethyl)amino]-, methyl ester
CAS No: 1154-82-1 Catalog No: AG000FYH MDL No:
Product Description
Catalog Number:
AG000FYH
Chemical Name:
2-Pyrazinecarboxylic acid, 3-amino-6-chloro-5-[(phenylmethyl)amino]-, methyl ester
CAS Number:
1154-82-1
Molecular Formula:
C13H13ClN4O2
Molecular Weight:
292.7209
IUPAC Name:
methyl 3-amino-5-(benzylamino)-6-chloropyrazine-2-carboxylate
InChI:
InChI=1S/C13H13ClN4O2/c1-20-13(19)9-11(15)18-12(10(14)17-9)16-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,15,16,18)
InChI Key:
FLCZFLPPQOXHDF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Cl)c(nc1N)NCc1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.723g/mol
Monoisotopic Mass:
292.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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