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1390640-83-1 | 4-Pyrimidinecarboxylic acid, 6-amino-2-(4-chloro-2,3-difluorophenyl)-, methyl ester
CAS No: 1390640-83-1 Catalog No: AG001A3W MDL No:
Product Description
Catalog Number:
AG001A3W
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-amino-2-(4-chloro-2,3-difluorophenyl)-, methyl ester
CAS Number:
1390640-83-1
Molecular Formula:
C12H8ClF2N3O2
Molecular Weight:
299.6606
IUPAC Name:
methyl 6-amino-2-(4-chloro-2,3-difluorophenyl)pyrimidine-4-carboxylate
InChI:
InChI=1S/C12H8ClF2N3O2/c1-20-12(19)7-4-8(16)18-11(17-7)5-2-3-6(13)10(15)9(5)14/h2-4H,1H3,(H2,16,17,18)
InChI Key:
QAIVFZOFALMQGY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)nc(n1)c1ccc(c(c1F)F)Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.662g/mol
Monoisotopic Mass:
299.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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