AG003QA6

41103-17-7 | ETHYL 4-CHLOROPYRIMIDINE-5-CARBOXYLATE

AG003QA6

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CAS Number	41103-17-7
Catalog Number	AG003QA6(AGN-PC-0NJW0V)
Chemical Name	ETHYL 4-CHLOROPYRIMIDINE-5-CARBOXYLATE
IUPAC Name	ethyl 4-chloropyrimidine-5-carboxylate
InChI	InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3
InChI Key	AZJAMMCCAZZXIK-UHFFFAOYSA-N
MDL Number	MFCD07371659
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.5957
SMILES	ClC1=NC=NC=C1C(=O)OCC
Synonyms	Ethyl 4-chloropyrimidine-5-carboxylate, 41103-17-7, ETHYL 4-CHLORO-5-PYRIMIDINECARBOXYLATE, 4-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, 5-Pyrimidinecarboxylic acid, 4-chloro-, ethyl ester, 4-chloropyrimidine-5-carboxylic acid ethyl ester, Ethyl4-chloropyrimidine-5-carboxylate, PubChem18612, ACMC-1AOWN, SCHEMBL2217314, CTK4I4253, KS-00000BGN, DTXSID20506817, 4-chloro-5-carboethoxy-pyrimidine, AZJAMMCCAZZXIK-UHFFFAOYSA-N, ACN-P001124, ANW-29558, MFCD07371659, ZINC38540341, Ethyl4-Chloro-5-pyrimidinecarboxylate, AKOS006285580, AB32643, CS-W009281, RP24678, TRA0031001, VP50383, Ethyl 4-chloro-pyrimidine-5-carboxylate, AC-22853, AJ-96387, AK-24102, BC671521, BR-24102, CJ-19525, DS-10724, EN000166, HC210423, SC-47541, SY007107, AB0024814, AB1000876, DB-007494, ST2413002, TC-030401, 4CH-005268, AM20080779, FT-0080466, FT-0602714, W6159, A24692, S-4649, MFCD07371659 (97+%), 103E177, 5-Pyrimidinecarboxylicacid, 4-chloro-, ethyl ester, I03-0707, J-520998, null, C7H7ClN2O2, ACN-001124, C2563, M0254,

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	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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