AG00H1LI

935681-01-9 | 4-Bromo-5-fluoro-2,3-dihydro-1H-inden-1-one

AG00H1LI

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CAS Number	935681-01-9
Catalog Number	AG00H1LI
Chemical Name	4-Bromo-5-fluoro-2,3-dihydro-1H-inden-1-one
IUPAC Name	4-bromo-5-fluoro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrFO/c10-9-6-2-4-8(12)5(6)1-3-7(9)11/h1,3H,2,4H2
InChI Key	JTVKCVNXTBXSOL-UHFFFAOYSA-N
MDL Number	MFCD18208170
Molecular Formula	C9H6BrFO
Molecular Weight	229.0457
SMILES	O=C1CCC2=C1C=CC(F)=C2Br
Synonyms	4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-one, 935681-01-9, 1H-Inden-1-one, 4-bromo-5-fluoro-2,3-dihydro-, SCHEMBL296542, JTVKCVNXTBXSOL-UHFFFAOYSA-N, MFCD18208170, AKOS030527213, ZINC113513099, ACN-030546, QC-8381, Z2235409309,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.048g/mol
Monoisotopic Mass	227.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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