AG005XFY

Name: 1-(5-Methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one
Brand: Angene Chemical
SKU: AG005XFY

957511-87-4 | 1-(5-Methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one

AG005XFY

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CAS Number	957511-87-4
Catalog Number	AG005XFY(AGN-PC-0WB4E1)
Chemical Name	1-(5-Methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one
IUPAC Name	1-(5-methyl-3-nitropyrazol-1-yl)propan-2-one
InChI	InChI=1S/C7H9N3O3/c1-5-3-7(10(12)13)8-9(5)4-6(2)11/h3H,4H2,1-2H3
InChI Key	QPBIALMZSYFKER-UHFFFAOYSA-N
MDL Number	MFCD01243523
Molecular Formula	C7H9N3O3
Molecular Weight	183.1647
SMILES	CC(=O)Cn1nc(cc1C)[N+](=O)[O-]
Synonyms	957511-87-4, 1-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETONE, 1-(5-methyl-3-nitropyrazol-1-yl)propan-2-one, 1-(5-Methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one, AC1LIER2, SCHEMBL1008523, CTK5H8164, DTXSID30358586, QPBIALMZSYFKER-UHFFFAOYSA-N, CHEMBRDG-BB 5904367, ZINC482717, MFCD01243523, AKOS006229647, MCULE-4908812147, AJ-23123, 1-{3-nitro-5-methyl-1H-pyrazol-1-yl}acetone, W-8153, 1-(5-methyl-3-nitro-pyrazol-1-yl)-propan-2-one, AK-968/11367206, CID902914, ZINC00482717,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.064g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.167g/mol
Monoisotopic Mass	183.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited