AG004GVK

88095-61-8 | 1-Benzyl-4-nitropyrazole

AG004GVK

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CAS Number	88095-61-8
Catalog Number	AG004GVK(AGN-PC-0JYSL9)
Chemical Name	1-Benzyl-4-nitropyrazole
IUPAC Name	1-benzyl-4-nitropyrazole
InChI	InChI=1S/C10H9N3O2/c14-13(15)10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key	IYZHZCMFLIKMSN-UHFFFAOYSA-N
MDL Number	MFCD03087886
Molecular Formula	C10H9N3O2
Molecular Weight	203.1974
SMILES	O=[N+](C1=CN(CC2=CC=CC=C2)N=C1)[O-]
Synonyms	1-Benzyl-4-nitro-1H-pyrazole, 88095-61-8, 1-benzyl-4-nitropyrazole, 1H-Pyrazole, 4-nitro-1-(phenylmethyl)-, benzylnitropyrazole, BAS 06330855, AC1LJG0C, 4-nitro-1-benzylpyrazole, SCHEMBL2360147, CTK5F9342, DTXSID80359583, IYZHZCMFLIKMSN-UHFFFAOYSA-N, ZINC614310, ALBB-022255, KS-00000M5C, KM2572, MFCD03087886, STK408227, AKOS000310386, KB-0807, MCULE-9879514458, RP11856, 1H-Pyrazole,4-nitro-1-(phenylmethyl)-, AK325787, ST063643, DB-031945, TR-027652, FT-0681159, V8576, J-504298, I14-26947, C10H9N3O2, CID973645,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.201g/mol
Monoisotopic Mass	203.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.6A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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