AG006CF3

97421-12-0 | 1-(Tert-Butyl)-4-Nitro-1H-Pyrazole

AG006CF3

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CAS Number	97421-12-0
Catalog Number	AG006CF3(AGN-PC-007G4B)
Chemical Name	1-(Tert-Butyl)-4-Nitro-1H-Pyrazole
IUPAC Name	1-tert-butyl-4-nitropyrazole
InChI	InChI=1S/C7H11N3O2/c1-7(2,3)9-5-6(4-8-9)10(11)12/h4-5H,1-3H3
InChI Key	FPKZTRHYFSEGRN-UHFFFAOYSA-N
MDL Number	MFCD11845714
Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
SMILES	CC(C)(C)N1C=C(C=N1)[N+]([O-])=O
Synonyms	1-(Tert-butyl)-4-nitro-1H-pyrazole, 97421-12-0, 1H-Pyrazole, 1-(1,1-dimethylethyl)-4-nitro-, 1-tert-Butyl-4-nitro-1H-pyrazole, ACMC-20aeod, SCHEMBL1522012, 1-(tert-butyl)-4-nitropyrazole, CTK3G8245, DTXSID50463282, FPKZTRHYFSEGRN-UHFFFAOYSA-N, 6819AC, ANW-69947, MFCD11845714, SBB088285, ZINC44154478, AKOS016001907, FCH1146588, AJ-109452, AX8241684, TC-158692, ST24021196, 4-nitro-1-tert-butyl-pyrazole, C7H11N3O2, CID11355708,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.184g/mol
Monoisotopic Mass	169.085g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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