AG000JAX

1227575-47-4 | 2-Pyrimidinecarboxylic acid, 5-fluoro-, methyl ester

AG000JAX

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CAS Number	1227575-47-4
Catalog Number	AG000JAX(AGN-PC-09PPHN)
Chemical Name	2-Pyrimidinecarboxylic acid, 5-fluoro-, methyl ester
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
MDL Number	MFCD16611615
Molecular Formula	C6H5FN2O2
Molecular Weight	156.1145
SMILES	O=C(C1=NC=C(F)C=N1)OC
Synonyms	Methyl 5-fluoropyrimidine-2-carboxylate, 1227575-47-4, AK128119, AR-527/43461195, 2-Pyrimidinecarboxylic acid, 5-fluoro-, methyl ester, SCHEMBL10328696, KS-00000BWR, DTXSID50693269, BAWZGVWTHJYDFE-UHFFFAOYSA-N, 7118AJ, MFCD16611615, ZINC68675321, AKOS016013480, Methyl5-Fluoropyrimidine-2-carboxylate, DS-5747, FCH1176380, SB16212, methyl 5-fluoro-2-pyrimidinecarboxylate, AC-29400, DA-47059, QC-10075, SY036635, AB0071320, AJ-117150, AX8249910, 4CH-002026, CS-0038962, FT-0707248, ST24048001, MFCD16611615 (95%), 5-Fluoropyrimidine-2-carboxylic acid methyl ester, C6H5FN2O2, 5-Fluoro-pyrimidine-2-carboxylic acid methyl ester,

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

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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