AG00DHWI

51940-63-7 | Ethyl 6-chloropyrimidine-4-carboxylate

AG00DHWI

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CAS Number	51940-63-7
Catalog Number	AG00DHWI(AGN-PC-03UQY4)
Chemical Name	Ethyl 6-chloropyrimidine-4-carboxylate
IUPAC Name	ethyl 6-chloropyrimidine-4-carboxylate
InChI	InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-6(8)10-4-9-5/h3-4H,2H2,1H3
InChI Key	DSNWMSGZYSQPTE-UHFFFAOYSA-N
MDL Number	MFCD12756023
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.5957
SMILES	C(=O)(OCC)c1cc(Cl)ncn1
Synonyms	ethyl 6-chloropyrimidine-4-carboxylate, 51940-63-7, AK-47261, 6-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID ETHYL ESTER, SCHEMBL549184, CTK4J5148, DTXSID80628140, DSNWMSGZYSQPTE-UHFFFAOYSA-N, ACN-P001150, BCP21510, 7287AB, MFCD12756023, ZINC71864392, AKOS016009648, ACN-001150, CS-W008149, FCH1179754, PB19299, QC-4479, KS-000003R9, AC-28832, AS-10499, SC-53274, SY034552, AB0095768, AJ-118953, AX8213197, ST1141080, FT-0705106, MFCD12756023 (95%), Q-2993, 6-Chloro-4-pyrimidinecarboxylic acid ethyl ester, 6-Chloropyrimidine-4-carboxylic acid ethyl ester, C7H7ClN2O2, ETHYL6-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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