AG001R96

159639-61-9 | 1(2H)-Naphthalenone, 5,7-dibromo-3,4-dihydro-

AG001R96

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CAS Number	159639-61-9
Catalog Number	AG001R96(AGN-PC-0N3I44)
Chemical Name	1(2H)-Naphthalenone, 5,7-dibromo-3,4-dihydro-
IUPAC Name	5,7-dibromo-3,4-dihydro-2H-naphthalen-1-one
InChI	InChI=1S/C10H8Br2O/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5H,1-3H2
InChI Key	MVSWWAWOOVHMMV-UHFFFAOYSA-N
MDL Number	MFCD09752947
Molecular Formula	C10H8Br2O
Molecular Weight	303.9779
SMILES	O=C1CCCC2=C1C=C(Br)C=C2Br
Synonyms	159639-61-9, 5,7-dibromo-3,4-dihydronaphthalen-1(2H)-one, 5,7-dibromo-3,4-dihydro-2H-naphthalen-1-one, 5,7-DIBROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE, 5,7-Dibromotetralin-1-one, SCHEMBL769083, CTK5I6226, MVSWWAWOOVHMMV-UHFFFAOYSA-N, 5,7-DIBROMO-1-TETRALONE, MFCD09752947, ZINC38689952, AKOS025395724, DS-8126, EBD3322363, KS-00000T03, AK172665, CS-0036030, 1(2H)-Naphthalenone, 5,7-dibromo-3,4-dihydro-, Z1946235608, ACN-054645, CID10380286,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.892g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	303.981g/mol
Monoisotopic Mass	301.894g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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