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Benzhydryl Bromide 94% Extrapure

CAT: 1507-0373B 00100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1507-0373B 00100Size:100 mg
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CAS Number
776-74-9
HSN Code
29039990

Chemical Information

Bromodiphenylmethane

Diphenylmethyl bromide is a white crystalline solid. A lachrymator. In the presence of moisture corrosive to tissue and most metals.

CAS Number776-74-9
PubChem CID236603
IUPAC Name[bromo(phenyl)methyl]benzene
Molecular FormulaC13H11Br
Molecular Weight247.13
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity137
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)Br
InChI
InChI=1S/C13H11Br/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
OQROAIRCEOBYJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromodiphenylmethane
CAS: 776-74-9
CID: 236603
Formula: C13H11Br
MW: 247.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight247.13
XLogP34.1
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
Complexity137
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