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Phenytoin EP Impurity A-d5

CAT: 1596-AR-P01787-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01787-01Size:10 Units
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CAS Number
2694-78-2
Synonyms
Benzophenone-D10; Phenylphenyl-2,3,4,5,6-d5 Methanone; 2,3,4,5,6-Pentadeuteriobenzophenone; 2,3,4,5,6-Pentadeuterobenzophenone; Phenyl (phenyl-d5) methanone; Benzophenone-2,3,4,5,6-d5; (Dimenhydrinate EP Impurity J-d5)
Molecular Formula
C13H5D5O
Molecular Weight
187.25
API Name
Phenytoin

Chemical Information

Benzophenone-2,3,4,5,6-d5
CAS Number2694-78-2
PubChem CID12210018
IUPAC Name(2,3,4,5,6-pentadeuteriophenyl)-phenylmethanone
Molecular FormulaC13H10O
Molecular Weight187.25
XLogP3.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity165
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=CC=CC=C2)[2H])[2H]
InChI
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i1D,3D,4D,7D,8D
InChIKey
RWCCWEUUXYIKHB-DYVTXVBDSA-N
Chemical Structure
2D Structure
2D structure of Benzophenone-2,3,4,5,6-d5
CAS: 2694-78-2
CID: 12210018
Formula: C13H10O
MW: 187.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.25
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass187.104548668
Monoisotopic Mass187.104548668
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity165
Isotope Atom Count5
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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