Home Carboxys Methyl 4-(4-fluorophenyl)pyrimidine-2-carboxylate

Methyl 4-(4-fluorophenyl)pyrimidine-2-carboxylate

CAS No.:
1401162-80-8
Catalog Number:
AG001C14
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
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Product Description
Catalog Number:
AG001C14
Chemical Name:
Methyl 4-(4-fluorophenyl)pyrimidine-2-carboxylate
CAS Number:
1401162-80-8
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
MDL Number:
MFCD27952756
IUPAC Name:
methyl 4-(4-fluorophenyl)pyrimidine-2-carboxylate
InChI:
InChI=1S/C12H9FN2O2/c1-17-12(16)11-14-7-6-10(15-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChI Key:
FBERHMNLNASCPS-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(n1)c1ccc(cc1)F
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.065g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.214g/mol
Monoisotopic Mass:
232.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties