AG000X2T

127425-74-5 | 1H-Inden-1-one, 5-bromo-4-fluoro-2,3-dihydro-

AG000X2T

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CAS Number	127425-74-5
Catalog Number	AG000X2T(AGN-PC-0WAMA1)
Chemical Name	1H-Inden-1-one, 5-bromo-4-fluoro-2,3-dihydro-
IUPAC Name	5-bromo-4-fluoro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrFO/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChI Key	CILPXFZGSHPJOA-UHFFFAOYSA-N
MDL Number	MFCD18208171
Molecular Formula	C9H6BrFO
Molecular Weight	229.0457
SMILES	O=C1CCC2=C1C=CC(Br)=C2F
Synonyms	5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-one, 127425-74-5, 5-BROMO-4-FLUORO-1-INDANONE, 1H-Inden-1-one, 5-bromo-4-fluoro-2,3-dihydro-, SCHEMBL5740876, CILPXFZGSHPJOA-UHFFFAOYSA-N, MFCD18208171, AKOS025395772, ZINC146243984, CS-W022327, DS-8150, QC-8380, AK172729, ACN-030547,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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