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1364677-40-6 | 2-Pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-5-fluoro-, methyl ester
CAS No: 1364677-40-6 Catalog No: AG0011W1 MDL No:
Product Description
Catalog Number:
AG0011W1
Chemical Name:
2-Pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-5-fluoro-, methyl ester
CAS Number:
1364677-40-6
Molecular Formula:
C12H8ClFN2O2
Molecular Weight:
266.6555
IUPAC Name:
methyl 4-(4-chlorophenyl)-5-fluoropyrimidine-2-carboxylate
InChI:
InChI=1S/C12H8ClFN2O2/c1-18-12(17)11-15-6-9(14)10(16-11)7-2-4-8(13)5-3-7/h2-6H,1H3
InChI Key:
BWQGYEUSGSEAHM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(n1)c1ccc(cc1)Cl)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.656g/mol
Monoisotopic Mass:
266.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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