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1973-22-4

1973-22-4 | Benzene, 1-bromo-2-ethyl-

CAS No: 1973-22-4 Catalog No: AG002AQM MDL No:MFCD00000077

Product Description

Catalog Number:
AG002AQM
Chemical Name:
Benzene, 1-bromo-2-ethyl-
CAS Number:
1973-22-4
Molecular Formula:
C8H9Br
Molecular Weight:
185.0611
MDL Number:
MFCD00000077
IUPAC Name:
1-bromo-2-ethylbenzene
InChI:
InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChI Key:
HVRUGFJYCAFAAN-UHFFFAOYSA-N
SMILES:
CCc1ccccc1Br
EC Number:
217-823-8

Properties

Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.989g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.064g/mol
Monoisotopic Mass:
183.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
N-Benzyl-P-(2-ethyl-phen-yl)-P-phenyl-phosphinic amide. Acta crystallographica. Section E, Structure reports online 20111201
Synthesis, characterization and catalytic function of a B12-hyperbranched polymer. Dalton transactions (Cambridge, England : 2003) 20100328
Formation of spirocyclic compounds from Heck cyclizations invoking cyclic enamides. The Journal of organic chemistry 20080718

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