AG00FFBK

65685-50-9 | 5-bromobenzo[d]isoxazol-3-one

AG00FFBK

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CAS Number	65685-50-9
Catalog Number	AG00FFBK(AGN-PC-0KOFR7)
Chemical Name	5-bromobenzo[d]isoxazol-3-one
IUPAC Name	5-bromo-1,2-benzoxazol-3-one
InChI	InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)7(10)9-11-6/h1-3H,(H,9,10)
InChI Key	XLPXBJYNYXPQAO-UHFFFAOYSA-N
MDL Number	MFCD01658969
Molecular Formula	C7H4BrNO2
Molecular Weight	214.0162
SMILES	O=C1NOC2=CC=C(Br)C=C12
Synonyms	5-Bromobenzo[d]isoxazol-3(2H)-one, 65685-50-9, 5-BROMOBENZO[D]ISOXAZOL-3-ONE, BRN 1211449, 5-bromo-1,2-benzoxazol-3-one, 1,2-Benzisoxazol-3(2H)-one, 5-bromo-, 5-Bromo-1,2-benzisoxazol-3(2H)-one, 5-Bromo-3-hydroksybenzoizoksazol [Polish], 5-bromo-1,2-benzoxazol-3-ol, 5-bromo-2,3-dihydro-1,2-benzoxazol-3-one, 5-Bromo-3-hydroksybenzoizoksazol, 3-Hydroxy-5-brom-1,2-benzisoxazol, AC1MHEMZ, 5-bromobenzo[d]isoxazol-3-ol, CHEMBL455217, SCHEMBL2708342, BDBM23170, CTK5C2994, DTXSID10215906, XLPXBJYNYXPQAO-UHFFFAOYSA-N, 5-bromanyl-1,2-benzoxazol-3-one, ANW-60136, MFCD01658969, ZINC14980227, AKOS015917299, AKOS016004520, Benzo[d]isoxazol-3-ol Derivative, 3c, CB-1362, FS-3654, MP-1954, KS-00000P37, AJ-65539, AK-59832, LS-33646, 4CH-010848, Z5002, A835190, I14-9989, C7H4BrNO2, C7-H4-Br-N-O2, CID3050079,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.943g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.018g/mol
Monoisotopic Mass	212.943g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number