AG00EX8K

633327-11-4 | 1H-Indazole-5-carbonitrile,6-fluoro-(9CI)

AG00EX8K

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CAS Number	633327-11-4
Catalog Number	AG00EX8K(AGN-PC-0WD75Q)
Chemical Name	1H-Indazole-5-carbonitrile,6-fluoro-(9CI)
IUPAC Name	6-fluoro-1H-indazole-5-carbonitrile
InChI	InChI=1S/C8H4FN3/c9-7-2-8-6(4-11-12-8)1-5(7)3-10/h1-2,4H,(H,11,12)
InChI Key	VXUYVSMGNDIOLK-UHFFFAOYSA-N
MDL Number	MFCD17010087
Molecular Formula	C8H4FN3
Molecular Weight	161.1359
SMILES	N#CC1=CC2=C(NN=C2)C=C1F
Synonyms	6-FLUORO-1H-INDAZOLE-5-CARBONITRILE, 633327-11-4, 1H-INDAZOLE-5-CARBONITRILE,6-FLUORO-, SCHEMBL182534, VXUYVSMGNDIOLK-UHFFFAOYSA-N, KS-000005YH, MFCD17010087, ZINC39088874, AKOS027254763, MB69244, AK205522, DS-10412, 1H-Indazole-5-carbonitrile,6-fluoro-(9CI), CS-0050207, 1H-INDAZOLE-5-CARBONITRILE, 6-FLUORO-,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.039g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.139g/mol
Monoisotopic Mass	161.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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