AG004KLH

866837-96-9 | ethyl 5-amino-1-phenylpyrazole-3-carboxylate

AG004KLH

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CAS Number	866837-96-9
Catalog Number	AG004KLH(AGN-PC-046I5G)
Chemical Name	ethyl 5-amino-1-phenylpyrazole-3-carboxylate
IUPAC Name	ethyl 5-amino-1-phenylpyrazole-3-carboxylate
InChI	InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChI Key	SRDSLLHGDLOTGF-UHFFFAOYSA-N
MDL Number	MFCD07388406
Molecular Formula	C12H13N3O2
Molecular Weight	231.2505
SMILES	O=C(C1=NN(C2=CC=CC=C2)C(N)=C1)OCC
Synonyms	ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate, 866837-96-9, 5-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester, AK-30149, ETHYL 5-AMINO-1-PHENYL-1HPYRAZOLE-3-CARBOXYLATE, PubChem18410, SCHEMBL2835335, 5-Amino-1-phenyl-1H-pyrazole-3-carboxylicacidethylester, CTK5F7092, DTXSID60635256, HID1133, SRDSLLHGDLOTGF-UHFFFAOYSA-N, 1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester, BCP04507, KS-00000KS3, CE-653, MFCD07388406, QC-306, ZINC21300481, AKOS005146013, AC-2265, ACN-000003, VP20150, AJ-78326, AN-14113, DS-11770, S916, AX8035173, ST2406968, TC-070099, TL8005628, 4CH-017188, CS-0001920, FT-0646626, ethyl 5-amino-1-phenyl-pyrazole-3-carboxylate, 837E969, I14-3977, ETHYL 5-AMINO-1-PHENYLPYRAZOLE-3-CARBOXYLATE, 1H-Pyrazole-3-carboxylicacid, 5-amino-1-phenyl-, ethyl ester, C12H13N3O2, A10331, (7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.101g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.255g/mol
Monoisotopic Mass	231.101g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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