AG001YJO

169192-93-2 | 2-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one

AG001YJO

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CAS Number	169192-93-2
Catalog Number	AG001YJO(AGN-PC-0N17G1)
Chemical Name	2-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one
IUPAC Name	2-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI	InChI=1S/C11H11BrO/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7H,1-4H2
InChI Key	XXOUVYNCUSZBHH-UHFFFAOYSA-N
MDL Number	MFCD06804506
Molecular Formula	C11H11BrO
Molecular Weight	239.1084
SMILES	O=C1CCCCC2=CC(Br)=CC=C21
Synonyms	169192-93-2, 2-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one, 2-Bromo-6,7,8,9-tetrahydrobenzocyclohepten-5-one, 2-BROMO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE, 5H-Benzocyclohepten-5-one, 2-bromo-6,7,8,9-tetrahydro-, 2-bromo-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, SCHEMBL570706, 2-bromo-benzo[b]cycloheptanone, CTK4D3221, DTXSID80437234, XXOUVYNCUSZBHH-UHFFFAOYSA-N, ACT09091, 8652AA, ANW-59639, MFCD06804506, ZINC38418144, AKOS016003865, AJ-95285, AS-30418, SC-87658, RT-007489, ST2404237, 4CH-017573, FT-0759689, A-1975, A811062, 2-bromanyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, Z2010010130, C11H11BrO, CID10243312, 10-bromobicyclo[5.4.0]undeca-8,10,12-trien-6-one,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.999g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.112g/mol
Monoisotopic Mass	237.999g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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