AG002XXX

29270-55-1 | 2,​1,​3-​Benzoxadiazole, 4-​fluoro-

AG002XXX

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CAS Number	29270-55-1
Catalog Number	AG002XXX(AGN-PC-0LE2JH)
Chemical Name	2,​1,​3-​Benzoxadiazole, 4-​fluoro-
IUPAC Name	4-fluoro-2,1,3-benzoxadiazole
InChI	InChI=1S/C6H3FN2O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChI Key	QKZQJBBZKDVVFI-UHFFFAOYSA-N
MDL Number	MFCD03425566
Molecular Formula	C6H3FN2O
Molecular Weight	138.0992
SMILES	Fc1c2c(ccc1)non2
Synonyms	4-Fluoro-2,1,3-benzoxadiazole, 29270-55-1, 4-Fluorobenzo[c][1,2,5]oxadiazole, 4-Fluorobenzofurazan, 4-Fluoro-2,1,3-benzoxadiazol, 4-Fluorobenzofurazane, AC1NDUDW, ACMC-209h7z, SCHEMBL6390857, 7-fluoro-2,1,3-benzoxadiazol, 7-fluoro-2,1,3-benzoxadiazole, CTK4G3045, DTXSID50404812, QKZQJBBZKDVVFI-UHFFFAOYSA-N, 2,1,3-Benzoxadiazole,4-fluoro-, 2,1,3-Benzoxadiazole, 4-fluoro-, KS-000015SD, ZINC2576406, ANW-26589, MFCD03425566, AKOS006282531, TRA0058381, AJ-42518, AB1010884, TR-012774, F0702, FT-0668610, J-100169, J-640199, J-800200, Z2146566025, 2-Acetaminobenzophenone, CID4607136, 2-fluoro-8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.023g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.101g/mol
Monoisotopic Mass	138.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.9A^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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