AG000F63

1147548-82-0 | 1H-Inden-1-one, 6-bromo-2,3-dihydro-5-methyl-

AG000F63

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CAS Number	1147548-82-0
Catalog Number	AG000F63(AGN-PC-0WCXGN)
Chemical Name	1H-Inden-1-one, 6-bromo-2,3-dihydro-5-methyl-
IUPAC Name	6-bromo-5-methyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C10H9BrO/c1-6-4-7-2-3-10(12)8(7)5-9(6)11/h4-5H,2-3H2,1H3
InChI Key	BDDRYMCLHQDWCG-UHFFFAOYSA-N
MDL Number	MFCD18208177
Molecular Formula	C10H9BrO
Molecular Weight	225.0819
SMILES	O=C1CCC2=C1C=C(Br)C(C)=C2
Synonyms	1147548-82-0, 6-bromo-5-methyl-2,3-dihydro-1H-inden-1-one, 6-BROMO-5-METHYL-1-INDANONE, SCHEMBL4818430, BDDRYMCLHQDWCG-UHFFFAOYSA-N, KS-00000T0Q, MFCD18208177, AKOS025395770, ZINC149009953, DS-8147, FCH1364394, AK172726, 6-bromo-5-methyl-2,3-dihydroinden-1-one, AX8297040, 1H-Inden-1-one, 6-bromo-2,3-dihydro-5-methyl-,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.984g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.085g/mol
Monoisotopic Mass	223.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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