5-Bromo-4-fluoroisatoic anhydride - CAS 1440535-66-9

Catalog:	BB071731
Product Name:	5-Bromo-4-fluoroisatoic anhydride
CAS:	1440535-66-9
Synonyms:	5-Bromo-4-fluoroisatoic anhydride; 6-BROMO-7-FLUORO-1H-3,1-BENZOXAZINE-2,4-DIONE; 5-Bromo-4-fluoroisatoicanhydride; 5-Bromo-4-fluoroisatoic anhydride 97%

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6-bromo-7-fluoro-1H-3,1-benzoxazine-2,4-dione
Description:	5-Bromo-4-fluoroisatoic anhydride
Molecular Weight:	260.01
Molecular Formula:	C8H3BrFNO3
Canonical SMILES:	C1=C2C(=CC(=C1Br)F)NC(=O)OC2=O
InChI:	InChI=1S/C8H3BrFNO3/c9-4-1-3-6(2-5(4)10)11-8(13)14-7(3)12/h1-2H,(H,11,13)
InChI Key:	KSIGHJQLNMQVPU-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.92803
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.92803
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8