AG00D96H

4498-72-0 | 1-(1H-Indazol-3-yl)ethanone

AG00D96H

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CAS Number	4498-72-0
Catalog Number	AG00D96H(AGN-PC-0NKNTQ)
Chemical Name	1-(1H-Indazol-3-yl)ethanone
IUPAC Name	1-(1H-indazol-3-yl)ethanone
InChI	InChI=1S/C9H8N2O/c1-6(12)9-7-4-2-3-5-8(7)10-11-9/h2-5H,1H3,(H,10,11)
InChI Key	BJEQUPDOOXOTLG-UHFFFAOYSA-N
MDL Number	MFCD08234921
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	CC(C1=NNC2=C1C=CC=C2)=O
Synonyms	1-(1H-indazol-3-yl)ethanone, 4498-72-0, 3-Acetylindazole, 1-(1H-indazol-3-yl)ethan-1-one, 1-(1h-indazol-3-yl)-ethanone, AK-45164, Acetylindazol, acetyl indazole, 3-Acetyl-1H-indazole, PubChem11851, SCHEMBL217086, CTK8B5190, DTXSID20576833, BJEQUPDOOXOTLG-UHFFFAOYSA-N, ACT09737, Ethanone, 1-(1H-indazol-3-yl)-, ANW-47896, CI-509, FCH858804, MFCD08234921, ZINC16696733, AKOS006287659, ACM4498720, CS-W006825, DS-1561, FS-2176, SB16377, AJ-69153, AM803924, BC649944, BR-45164, CJ-15560, SC-69713, AB0006528, AX8049569, DB-070616, ST2414913, TC-136641, 1-(1H-Indazol-3-yl)-ethanone, AldrichCPR, 4CH-014312, FT-0604098, W6353, S-4977, 1- ETHANONE, C9H8N2O, A7114, 3-Acetylindazole; 1-(1H-Indazol-3-yl)ethanone?,

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	1
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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