AG001AVI

1393667-83-8 | 1H-Pyrazole-4-carboxylic acid, 3-chloro-, ethyl ester

AG001AVI

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CAS Number	1393667-83-8
Catalog Number	AG001AVI(AGN-PC-0WAMTM)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 3-chloro-, ethyl ester
IUPAC Name	ethyl 5-chloro-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C6H7ClN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChI Key	WNRMFDPBDDKWFD-UHFFFAOYSA-N
MDL Number	MFCD28050408
Molecular Formula	C6H7ClN2O2
Molecular Weight	174.5850
SMILES	O=C(C1=C(Cl)NN=C1)OCC
Synonyms	ethyl 5-chloro-1H-pyrazole-4-carboxylate, 1393667-83-8, 948552-01-0, ethyl 3-chloro-1H-pyrazole-4-carboxylate, Ethyl 5-chloropyrazole-4-carboxylate, AK-99983, SCHEMBL20303941, CTK8B7269, DTXSID70646439, WNRMFDPBDDKWFD-UHFFFAOYSA-N, ACN-C001178, 6289AC, ANW-56885, FCH862434, MFCD08689931, ZINC14984316, AKOS006291019, ethyl-5-chloro-4-pyrazole carboxylate, ACN-000563, ethyl5-chloro-1H-pyrazole-4-carboxylate, AC-28849, AJ-66150, DS-17777, AB0182564, AX8221734, TC-145630, FT-0742130, ST24025000, W-2833, 1H-Pyrazole-4-carboxylic acid, 3-chloro-, ethyl ester, C6H7ClN2O2, Ethyl 5-chloro-methyl pyrazole-4-carboxylate, 5-Chloro-1-methyl-1H-pyrazole-4-carboxylicacidethylester, 56984-32-8,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.584g/mol
Monoisotopic Mass	174.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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