AG000PBL

1196152-00-7 | 4-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester

AG000PBL

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CAS Number	1196152-00-7
Catalog Number	AG000PBL(AGN-PC-03QDTF)
Chemical Name	4-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
IUPAC Name	ethyl 2-chloropyrimidine-4-carboxylate
InChI	InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3
InChI Key	PWNAFFKEIJSHRD-UHFFFAOYSA-N
MDL Number	MFCD08275109
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.5957
SMILES	O=C(C1=NC(Cl)=NC=C1)OCC
Synonyms	Ethyl 2-chloropyrimidine-4-carboxylate, 1196152-00-7, 2-Chloro-pyrimidine-4-carboxylic acid ethyl ester, SCHEMBL2684912, DTXSID20626387, PWNAFFKEIJSHRD-UHFFFAOYSA-N, 3372AA, MFCD08275109, ZINC80443071, AKOS006287212, AB44774, AK-76171, DA-19334, DS-16607, HC210426, AB0071007, AJ-123898, CS-0042720, FT-0714390, C-0651, 4-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester, 2-CHLOROPYRIMIDINE-4-CARBOXYLIC ACID ETHYL ESTER, C7H7ClN2O2, Ethyl2-chloropyrimidine-4-carboxylate,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.595g/mol
Monoisotopic Mass	186.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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