4-Hydroxybenzophenone-d4

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CAS Number

93496-64-1

Synonyms

(4-hydroxyphenyl-2,3,5,6-d4) (phenyl) methanone

Molecular Formula

C13H6D4O2

Molecular Weight

202.25

API Name

Benzophenone

Chemical Information

4-Hydroxybenzophenone-d4

CAS Number	93496-64-1
PubChem CID	12299668
IUPAC Name	phenyl-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)methanone
Molecular Formula	C13H10O2
Molecular Weight	202.24
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	211

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)C2=CC=CC=C2)[2H])[2H])O)[2H]

InChI

InChI=1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H/i6D,7D,8D,9D

InChIKey

NPFYZDNDJHZQKY-YKVCKAMESA-N

Chemical Structure

2D Structure

CAS: 93496-64-1

CID: 12299668

Formula: C13H10O2

MW: 202.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.24
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	202.093186541
Monoisotopic Mass	202.093186541
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-B06798-01	4-Hydroxybenzophenone-d5
AR-B06796-01	4-Methacryloxy-2-Hydroxybenzophenone
AR-F01041-01	Fampridine-d4 (4-Aminopyridine-d4)
AR-D02454-01	Droperidol-d4 (4-fluorophenyl-d4)
AR-E08840-01	Ezetimibe-d4 [N- (4-fluorophenyl-d4) ]
AR-D07454-01	Dolasetron Impurity 4-d4 (Indole-d4)
AR-P00985-01	4-Amino-4’-hydroxydiphenylsulfone-D4
AR-C08465-01	Crisaborole Impurity 4-d4
AR-V07180-01	Valsartan 4’-Azidomethyl-D4
AR-N01564-01	4-Hydroxy nimesulide-d4

Catalog	Name
432736-01	4-Hydroxybenzophenone-d4
FH24312	4-Hydroxybenzophenone
HY-W014937S1	4-Hydroxybenzophenone-d5
T1344-01	4-Chloro-4'-hydroxybenzophenone
TRC-C366700-50G	4-Chloro-4’-hydroxybenzophenone
OR471121	4-Amino-4'-hydroxybenzophenone