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1227575-47-4 | 2-Pyrimidinecarboxylic acid, 5-fluoro-, methyl ester
CAS No: 1227575-47-4 Catalog No: AG000JAX MDL No:MFCD16611615
Product Description
Catalog Number:
AG000JAX
Chemical Name:
2-Pyrimidinecarboxylic acid, 5-fluoro-, methyl ester
CAS Number:
1227575-47-4
Molecular Formula:
C6H5FN2O2
Molecular Weight:
156.1145
MDL Number:
MFCD16611615
IUPAC Name:
methyl 5-fluoropyrimidine-2-carboxylate
InChI:
InChI=1S/C6H5FN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3
InChI Key:
BAWZGVWTHJYDFE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cn1)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.116g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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