AG000QQ9

1260013-03-3 | 4-Bromo-7-chloro-1-indanone

AG000QQ9

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CAS Number	1260013-03-3
Catalog Number	AG000QQ9(AGN-PC-0GL4TG)
Chemical Name	4-Bromo-7-chloro-1-indanone
IUPAC Name	4-bromo-7-chloro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6BrClO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChI Key	MILQBZVMFHXNNO-UHFFFAOYSA-N
MDL Number	MFCD18208168
Molecular Formula	C9H6BrClO
Molecular Weight	245.5003
SMILES	O=C1CCC2=C1C(Cl)=CC=C2Br
Synonyms	1260013-03-3, 4-Bromo-7-chloro-2,3-dihydro-1H-inden-1-one, 4-Bromo-7-chloro-1-indanone, KS-00000TUX, MFCD18208168, ZINC84192972, AKOS015157177, AK548340, DS-19439, CS-0044521,

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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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