AG008BAU

885-94-9 | Ethyl 1-phenyl-1H-pyrazole-4-carboxylate

AG008BAU

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CAS Number	885-94-9
Catalog Number	AG008BAU(AGN-PC-00O1RQ)
Chemical Name	Ethyl 1-phenyl-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 1-phenylpyrazole-4-carboxylate
InChI	InChI=1S/C12H12N2O2/c1-2-16-12(15)10-8-13-14(9-10)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChI Key	UBIULDHICQCHJE-UHFFFAOYSA-N
MDL Number	MFCD00973358
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	O=C(C1=CN(C2=CC=CC=C2)N=C1)OCC
Synonyms	ethyl 1-phenyl-1H-pyrazole-4-carboxylate, 885-94-9, 1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester, PubChem23711, AC1Q34B4, SCHEMBL2411096, CTK3A9170, DTXSID10549894, UBIULDHICQCHJE-UHFFFAOYSA-N, ZINC408177, ethyl 1-phenylpyrazole-4-carboxylate, SBB079335, AKOS008483344, ACN-000810, MCULE-1578860000, QC-4444, RD-0242, AJ-22644, DA-16781, FT-0732371, J-520555, I14-15872, 1H-Pyrazole-4-carboxylic acid, 1-phenyl-, ethyl ester, Z283397264,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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