AG002L7K

21120-91-2 | Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-

AG002L7K

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CAS Number	21120-91-2
Catalog Number	AG002L7K(AGN-PC-09ES1L)
Chemical Name	Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-
IUPAC Name	7-bromobicyclo[4.2.0]octa-1,3,5-triene
InChI	InChI=1S/C8H7Br/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2
InChI Key	AYNXHFRDABNHRX-UHFFFAOYSA-N
MDL Number	MFCD00799491
Molecular Formula	C8H7Br
Molecular Weight	183.0452
SMILES	BrC1C2=CC=CC=C2C1
Synonyms	21120-91-2, 7-Bromobicyclo[4.2.0]octa-1,3,5-triene, 1-BROMO-BENZOCYCLOBUTANE, Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-, AYNXHFRDABNHRX-UHFFFAOYSA-N, 1-bromo-1,2-dihydrobenzocyclobutene, bromo benzocyclobutane, AC1LC2VE, AC1Q26LL, 7-Bromo-1,2-ethanobenzene, 1-Bromobenzocyclobutene, 95%, SCHEMBL1170559, CTK4E5919, DTXSID90340927, KS-00000KG2, 1-bromo-1,2-dihydrocyclobutabenzene, AC-154, MFCD17976891, AKOS015913183, CB-2061, CS-W017070, DS-8036, AK163275, AN-16087, AM20030339, 7-bromo-bicyclo[4.2.0]octa-1,3,5-triene, 7-Bromobicyclo[4.2.0]octa-1,3,5-triene #, Bicyclo[4.2.0]octa-1,3,5-triene,7-bromo-, X-3432, I14-4674, J-013861, 1-Bromobenzocyclobutene, bromobenzocyclobutene, 1-(1H-indol-2-yl)methanamine, AR-1H3217, CID568591, 21209-12-1,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.973g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	183.048g/mol
Monoisotopic Mass	181.973g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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