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(Dibromomethyl) Benzene

CAT: 0127-OR1024908Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1024908Size:1 g
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CAS Number
618-31-5
Synonyms
Dibromomethylbenzene
Purity
95%
Smiles
C1=CC=C(C=C1)C(Br)Br

Chemical Information

Alpha,alpha-dibromotoluene
CAS Number618-31-5
PubChem CID69249
IUPAC Namedibromomethylbenzene
Molecular FormulaC7H6Br2
Molecular Weight249.93
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
C1=CC=C(C=C1)C(Br)Br
InChI
InChI=1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey
VCJZTATVUDMNLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alpha,alpha-dibromotoluene
CAS: 618-31-5
CID: 69249
Formula: C7H6Br2
MW: 249.93
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight249.93
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass249.88158
Monoisotopic Mass247.88363
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity75
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