AG001C14

1401162-80-8 | 2-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-, methyl ester

AG001C14

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CAS Number	1401162-80-8
Catalog Number	AG001C14(AGN-PC-0WANBH)
Chemical Name	2-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-, methyl ester
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
MDL Number	MFCD27952756
Molecular Formula	C12H9FN2O2
Molecular Weight	232.2105
SMILES	O=C(C1=NC=CC(C2=CC=C(F)C=C2)=N1)OC
Synonyms	Methyl 4-(4-fluorophenyl)pyrimidine-2-carboxylate, 1401162-80-8, AK148219, SCHEMBL12538183, FBERHMNLNASCPS-UHFFFAOYSA-N, MFCD27952756, ZINC98178381, AKOS022188148, DS-8885, AJ-139487, AX8285581, 2-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-, methyl ester,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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