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Benzyl-d7 Bromide

CAT: 0572-TRC-B233653-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B233653-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35656-93-0
Synonyms
Benzene-1,2,3,4,5-d5, 6-(bromomethyl-d2)- (ACI); 6-(Bromomethyl-d2)benzene-1,2,3,4,5-d5 (ACI); Benzene-d5, (bromomethyl-d2)- (9CI); (Bromomethyl-d2)benzene-d5; 1-[Bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene; Benzyl-d7 bromide; Benzyl bromide-d7; Benzyl bromide-D7
Hazard Statement
Combustible liquid and vapour.
Smiles
[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])Br
Molecular Formula
C7 D7 Br
Molecular Weight
178.0776
InChI
InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D,6D2
Additionnal Information
IUPAC name: 1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene
Shipping Conditions
Room Temperature

Chemical Information

Benzyl bromide-d7
CAS Number35656-93-0
PubChem CID12217704
IUPAC Name1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene
Molecular FormulaC7H7Br
Molecular Weight178.08
XLogP2.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity55
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])Br)[2H])[2H]
InChI
InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D,6D2
InChIKey
AGEZXYOZHKGVCM-XZJKGWKKSA-N
Chemical Structure
2D Structure
2D structure of Benzyl bromide-d7
CAS: 35656-93-0
CID: 12217704
Formula: C7H7Br
MW: 178.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.08
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass177.01705
Monoisotopic Mass177.01705
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity55.4
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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