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2-Bromodiphenylmethane

CAT: 0024-sc-265495Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-265495Size:100 mg
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CAS Number
23450-18-2

Chemical Information

2-Bromodiphenylmethane
CAS Number23450-18-2
PubChem CID13061
IUPAC Name1-benzyl-2-bromobenzene
Molecular FormulaC13H11Br
Molecular Weight247.13
XLogP4.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2Br
InChI
InChI=1S/C13H11Br/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
DLCYFIIONMLNAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromodiphenylmethane
CAS: 23450-18-2
CID: 13061
Formula: C13H11Br
MW: 247.13
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight247.13
XLogP34.5
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
Complexity161
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