AG000WYY

1273655-83-6 | 1H-Inden-1-one, 5-bromo-2,3-dihydro-6-methyl-

AG000WYY

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CAS Number	1273655-83-6
Catalog Number	AG000WYY(AGN-PC-0WAM97)
Chemical Name	1H-Inden-1-one, 5-bromo-2,3-dihydro-6-methyl-
IUPAC Name	5-bromo-6-methyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C10H9BrO/c1-6-4-8-7(5-9(6)11)2-3-10(8)12/h4-5H,2-3H2,1H3
InChI Key	HLJKVJLEAGJIDK-UHFFFAOYSA-N
MDL Number	MFCD18647934
Molecular Formula	C10H9BrO
Molecular Weight	225.0819
SMILES	O=C1CCC2=C1C=C(C)C(Br)=C2
Synonyms	1273655-83-6, 5-bromo-6-methyl-1-indanone, 5-Bromo-6-methyl-2,3-dihydro-1H-inden-1-one, AK172660, 5-Bromo-6-methyl-2,3-dihydroinden-1-one, 1H-Inden-1-one, 5-bromo-2,3-dihydro-6-methyl-, SCHEMBL15613957, MFCD18647934, AKOS025395722, ZINC221705332, DS-8124, FCH1336018, AX8279017, CS-0036005, ACN-030621,

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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