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(4-Bromophenyl) (phenyl) methanol-d5

CAT: 0804-HY-W708266-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W708266-01Size:100 mg
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Description
(4-Bromophenyl) (phenyl) methanol-d5 (p-bromobenzhydryl alcohol-d5) is the deuterium labeled (4-Bromophenyl) (phenyl) methanol.
CAS Number
213678-51-4
Product Name Alternative
P-bromobenzhydryl alcohol-d5
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
OC(C1=CC=C(C=C1)Br)C2=C(C([2H])=C(C([2H])=C2[2H])[2H])[2H]
Molecular Formula
C13H6D5BrO
Molecular Weight
268.16
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4-Bromo-alpha-phenylbenzenemethanol-d5
CAS Number213678-51-4
PubChem CID131667546
IUPAC Name(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol
Molecular FormulaC13H11BrO
Molecular Weight268.16
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity181
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=C(C=C2)Br)O)[2H])[2H]
InChI
InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/i1D,2D,3D,4D,5D
InChIKey
WTIWDBNPPSHSCB-RALIUCGRSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-alpha-phenylbenzenemethanol-d5
CAS: 213678-51-4
CID: 131667546
Formula: C13H11BrO
MW: 268.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.16
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass267.03071
Monoisotopic Mass267.03071
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity181
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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