AG00IBWT

691900-59-1 | 1H-Indazole-3-carbonitrile, 6-methoxy-

AG00IBWT

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CAS Number	691900-59-1
Catalog Number	AG00IBWT(AGN-PC-0599PZ)
Chemical Name	1H-Indazole-3-carbonitrile, 6-methoxy-
IUPAC Name	6-methoxy-1H-indazole-3-carbonitrile
InChI	InChI=1S/C9H7N3O/c1-13-6-2-3-7-8(4-6)11-12-9(7)5-10/h2-4H,1H3,(H,11,12)
InChI Key	QAJXYNLOGLGDCG-UHFFFAOYSA-N
MDL Number	MFCD06659784
Molecular Formula	C9H7N3O
Molecular Weight	173.1714
SMILES	N#CC1=NNC2=C1C=CC(OC)=C2
Synonyms	6-METHOXY-1H-INDAZOLE-3-CARBONITRILE, 691900-59-1, 3-Cyano-6-methoxy-1H-indazole, 3-Cyano-6-methoxy 1H-indazole, 1H-Indazole-3-carbonitrile, 6-methoxy-, PubChem7809, SCHEMBL4013912, CTK5C9206, DTXSID70650576, 6008AH, FCH853254, MFCD06659784, ZINC16677941, AKOS006294361, AB26300, 1H-Indazole-3-carbonitrile,6-methoxy-, AJ-68985, AK142122, AN-27425, AS-41108, AB0091350, AX8029432, DB-074137, RT-010678, 4CH-025013, AM20041018, FT-0654057, ST24045429, W-2964, 900M591, A836380, I14-3929, C9H7N3O, 1H-Indazole-3-carbonitrile, 6-methoxy- (9CI), 6-methoxy-1H-indazole-3-carbonitrile, 95% - 1G 1g, 1-(3,4-Methylenedioxyphenyl)-2-pyrrolidinylpentan-1-one,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.175g/mol
Monoisotopic Mass	173.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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