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1136962-08-7 | 4-Pyrimidinecarboxylic acid, 6-amino-2-(4-chloro-2-fluorophenyl)-, methyl ester
CAS No: 1136962-08-7 Catalog No: AG0009C1 MDL No:
Product Description
Catalog Number:
AG0009C1
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-amino-2-(4-chloro-2-fluorophenyl)-, methyl ester
CAS Number:
1136962-08-7
Molecular Formula:
C12H9ClFN3O2
Molecular Weight:
281.6702
IUPAC Name:
methyl 6-amino-2-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylate
InChI:
InChI=1S/C12H9ClFN3O2/c1-19-12(18)9-5-10(15)17-11(16-9)7-3-2-6(13)4-8(7)14/h2-5H,1H3,(H2,15,16,17)
InChI Key:
TXPVBRMUTHVOEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)nc(n1)c1ccc(cc1F)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.671g/mol
Monoisotopic Mass:
281.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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