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1240312-42-8 | 4-Pyrimidinecarboxylic acid, 6-amino-5-ethenyl-2-(4-fluorophenyl)-, methyl ester
CAS No: 1240312-42-8 Catalog No: AG000LEY MDL No:
Product Description
Catalog Number:
AG000LEY
Chemical Name:
4-Pyrimidinecarboxylic acid, 6-amino-5-ethenyl-2-(4-fluorophenyl)-, methyl ester
CAS Number:
1240312-42-8
Molecular Formula:
C14H12FN3O2
Molecular Weight:
273.2624
IUPAC Name:
methyl 6-amino-5-ethenyl-2-(4-fluorophenyl)pyrimidine-4-carboxylate
InChI:
InChI=1S/C14H12FN3O2/c1-3-10-11(14(19)20-2)17-13(18-12(10)16)8-4-6-9(15)7-5-8/h3-7H,1H2,2H3,(H2,16,17,18)
InChI Key:
HDXLNXMZHNKMPZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(nc(c1C=C)N)c1ccc(cc1)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.267g/mol
Monoisotopic Mass:
273.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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