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1246209-90-4 | 7-Quinazolinecarboxylic acid, 2-amino-4-chloro-, methyl ester
CAS No: 1246209-90-4 Catalog No: AG000MH2 MDL No:
Product Description
Catalog Number:
AG000MH2
Chemical Name:
7-Quinazolinecarboxylic acid, 2-amino-4-chloro-, methyl ester
CAS Number:
1246209-90-4
Molecular Formula:
C10H8ClN3O2
Molecular Weight:
237.6424
IUPAC Name:
methyl 2-amino-4-chloroquinazoline-7-carboxylate
InChI:
InChI=1S/C10H8ClN3O2/c1-16-9(15)5-2-3-6-7(4-5)13-10(12)14-8(6)11/h2-4H,1H3,(H2,12,13,14)
InChI Key:
SOBWVRZIMHVNEV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nc(nc2Cl)N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.643g/mol
Monoisotopic Mass:
237.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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