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4-Bromodiphenylmethane

CAT: 0024-sc-299429ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-299429ASize:5 g
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CAS Number
2116-36-1

Chemical Information

1-Benzyl-4-bromobenzene
CAS Number2116-36-1
PubChem CID236000
IUPAC Name1-benzyl-4-bromobenzene
Molecular FormulaC13H11Br
Molecular Weight247.13
XLogP4.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity153
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
NNEOYCMCJMLRSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-4-bromobenzene
CAS: 2116-36-1
CID: 236000
Formula: C13H11Br
MW: 247.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight247.13
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass246.00441
Monoisotopic Mass246.00441
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity153
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes