AG003W1H

99822-24-9 | 6-Fluorobenzo[d]isoxazol-3(2H)-one

AG003W1H

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CAS Number	99822-24-9
Catalog Number	AG003W1H(AGN-PC-007G19)
Chemical Name	6-Fluorobenzo[d]isoxazol-3(2H)-one
IUPAC Name	6-fluoro-1,2-benzoxazol-3-one
InChI	InChI=1S/C7H4FNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
InChI Key	IKEBFZVFBZYVLM-UHFFFAOYSA-N
MDL Number	MFCD13180537
Molecular Formula	C7H4FNO2
Molecular Weight	153.1106
SMILES	FC1=CC2=C(C=C1)C(=O)NO2
Synonyms	6-Fluorobenzo[d]isoxazol-3(2H)-one, 99822-24-9, AK100150, 6-fluorobenzo[d]isoxazol-3-ol, CHEMBL482936, SCHEMBL5514251, SCHEMBL8116280, 6-fluoro-1,2-benzoxazol-3-ol, BDBM23173, CTK8C3749, KS-00000QTI, 6-fluoro-1,2-benzoxazol-3-one, DTXSID20463259, ANW-70489, MFCD13180537, ZINC14980235, AKOS016002740, Benzo[d]isoxazol-3-ol Derivative, 3f, FCH1411730, FS-3617, MP-1119, AJ-65541, AX8241138, 4CH-012171, ST24024402, Z5429, 6-fluoro-2,3-dihydro-1,2-benzoxazol-3-one, C7H4FNO2, 6-fluorobenzo[d]isoxazol-3-one, 1,2-Benzisoxazol-3 -one,6-fluoro-, CID11355591, 1,2-Benzisoxazol-3(2H)-one, 6-fluoro- (9CI),

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.023g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.112g/mol
Monoisotopic Mass	153.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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