AG003DWN

13436-55-0 | 1-Acetyl-5-nitro-1H-indazole

AG003DWN

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CAS Number	13436-55-0
Catalog Number	AG003DWN(AGN-PC-041ANO)
Chemical Name	1-Acetyl-5-nitro-1H-indazole
IUPAC Name	1-(5-nitroindazol-1-yl)ethanone
InChI	InChI=1S/C9H7N3O3/c1-6(13)11-9-3-2-8(12(14)15)4-7(9)5-10-11/h2-5H,1H3
InChI Key	JWCNYGFAYNMHPZ-UHFFFAOYSA-N
MDL Number	MFCD09261292
Molecular Formula	C9H7N3O3
Molecular Weight	205.1702
SMILES	CC(N1N=CC2=C1C=CC([N+]([O-])=O)=C2)=O
Synonyms	13436-55-0, 1-acetyl-5-nitro-1h-indazole, 1-(5-Nitro-1H-indazol-1-yl)ethanone, 1-Acetyl-5-nitroindazole, 1-(5-Nitro-indazol-1-yl)-ethanone, 1-(5-Nitro-1H-indazol-1-yl)ethan-1-one, 1-(5-nitroindazol-1-yl)ethanone, Ethanone,1-(5-nitro-1H-indazol-1-yl)-, ACMC-1BYYW, SCHEMBL2205790, CTK4B9126, DTXSID10632073, JWCNYGFAYNMHPZ-UHFFFAOYSA-N, 1-(5-nitro-1-indazolyl)ethanone, ACT08267, ZX-AT012890, ANW-19631, MFCD09261292, ZINC16124239, AKOS015837723, OR59368, AJ-68304, AS-35557, CJ-15338, AX8056214, ethanone, 1-(5-nitro-1h-indazol-1-yl)-, TR-004648, Z9756, B-3739, A806771, I14-35776, C9H7N3O3,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.049g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.173g/mol
Monoisotopic Mass	205.049g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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