AG000QPQ

1260017-94-4 | 1H-Inden-1-one, 4-bromo-6-chloro-2,3-dihydro-

AG000QPQ

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CAS Number	1260017-94-4
Catalog Number	AG000QPQ(AGN-PC-0WR3W5)
Chemical Name	1H-Inden-1-one, 4-bromo-6-chloro-2,3-dihydro-
IUPAC Name	4-bromo-6-chloro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrClO/c10-8-4-5(11)3-7-6(8)1-2-9(7)12/h3-4H,1-2H2
InChI Key	WCCKBUGGMIUBNX-UHFFFAOYSA-N
MDL Number	MFCD18208167
Molecular Formula	C9H6BrClO
Molecular Weight	245.5003
SMILES	O=C1CCC2=C1C=C(Cl)C=C2Br
Synonyms	4-bromo-6-chloro-2,3-dihydro-1H-inden-1-one, 1260017-94-4, SCHEMBL15287047, KS-00000TV3, MFCD18208167, ZINC88611576, AKOS017557525, NE37776, AK548532, DS-19450, 1H-Inden-1-one, 4-bromo-6-chloro-2,3-dihydro-,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.929g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.5g/mol
Monoisotopic Mass	243.929g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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