AG002HBH

188781-08-0 | 5-Pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester

AG002HBH

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CAS Number	188781-08-0
Catalog Number	AG002HBH(AGN-PC-038NSF)
Chemical Name	5-Pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester
IUPAC Name	ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
InChI	InChI=1S/C8H9ClN2O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3
InChI Key	XJNJPQSXRUJCIB-UHFFFAOYSA-N
MDL Number	MFCD03425963
Molecular Formula	C8H9ClN2O2
Molecular Weight	200.6223
SMILES	O=C(C1=CN=C(Cl)N=C1C)OCC
Synonyms	Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate, 188781-08-0, MFCD03425963, 2-chloro-4-methyl-pyrimidine-5-carboxylic acid ethyl ester, 5-Pyrimidinecarboxylic acid, 2-chloro-4-methyl-, ethyl ester, 2-Chloro-4-methylpyrimidine-5-carboxylic acid ethyl ester, SCHEMBL3435395, CHEMBL1783475, CTK4D9909, 2-Chloro-4-methyl-5-pyrimidinecarboxylic acid ethyl ester, DTXSID60611439, XJNJPQSXRUJCIB-UHFFFAOYSA-N, KS-00000ID2, ANW-44597, ZINC35269647, AKOS015851153, CS-W008424, DS-1965, HP22839, MP-0732, PS-4065, QC-5726, RP04277, TRA0037346, AC-25268, AJ-90849, AK-78665, AT-31781, CJ-18645, AB0003113, DB-065657, TR-039329, 4CH-009203, FT-0749896, ST24030504, Y5324, 2-Chloro-5-(ethoxycarbonyl)-4-methylpyrimidine, W-206382, Z1741979476, C8H9ClN2O2, Ethyl2-chloro-4-methylpyrimidine-5-carboxylate, Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate, 97% - 1G 1g,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.622g/mol
Monoisotopic Mass	200.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

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