AG0021EO

176088-59-8 | 1H-Inden-1-one, 6-bromo-2,3-dihydro-2-methyl-

AG0021EO

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CAS Number	176088-59-8
Catalog Number	AG0021EO(AGN-PC-0QAVYR)
Chemical Name	1H-Inden-1-one, 6-bromo-2,3-dihydro-2-methyl-
IUPAC Name	6-bromo-2-methyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C10H9BrO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
InChI Key	GMJKJIUETGRADG-UHFFFAOYSA-N
MDL Number	MFCD13152127
Molecular Formula	C10H9BrO
Molecular Weight	225.0819
SMILES	O=C1C(C)CC2=C1C=C(Br)C=C2
Synonyms	176088-59-8, 6-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one, 6-Bromo-2-methyl-1-indanone, 6-bromo-2-methyl-2,3-dihydroinden-1-one, SCHEMBL6475805, DTXSID40441438, AKOS015912044, NE53553, 6-BROMO-2-METHYL-INDAN-1-ONE, BC652361, V3829, 1H-Inden-1-one, 6-bromo-2,3-dihydro-2-methyl-, I14-36575, C10H9BrO, CID10537153,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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