AG009D15

13436-49-2 | 1H-Indazole, 1-acetyl- (7CI,8CI,9CI)

AG009D15

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CAS Number	13436-49-2
Catalog Number	AG009D15(AGN-PC-0JP1TZ)
Chemical Name	1H-Indazole, 1-acetyl- (7CI,8CI,9CI)
IUPAC Name	1-indazol-1-ylethanone
InChI	InChI=1S/C9H8N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10-11/h2-6H,1H3
InChI Key	ODFXXBQMLWHOAH-UHFFFAOYSA-N
MDL Number	MFCD16657163
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
NSC Number	122448
SMILES	CC(N1N=CC2=C1C=CC=C2)=O
Synonyms	1-(1H-indazol-1-yl)ethanone, 13436-49-2, 1-indazol-1-ylethanone, 1-ACETYL-1H-INDAZOLE, N-acetylindazole, 1H-Indazole, 1-acetyl- (7CI,8CI,9CI), N1-Acetylindazole, NSC122448, AC1L5HVW, AC1Q5KLI, SCHEMBL1087434, 1H-INDAZOLE, 1-ACETYL-, DTXSID30298312, ODFXXBQMLWHOAH-UHFFFAOYSA-N, ZINC1711852, CI-552, MFCD16657163, AKOS015841050, DS-6890, FCH1149645, MB14951, NSC-122448, AJ-30774, AK123148, AN-17160, AX8247326, DB-000778, TC-062984, FT-0705662, Z3318, I10-0512, InChI=1/C9H8N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10-11/h2-6H,1H, C9H8N2O, KST-1B0265, AR-1A9908, CID275547, 13465-61-7,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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