Phenol-d5

CAT: 1596-AR-P31125-06Size: 250 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-P31125-06Size:250 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4165-62-2

Molecular Formula

C6HD5O

Molecular Weight

99.14

API Name

Phenol

Chemical Information

Phen-d5-ol

See also: Phenol (annotation moved to); Extracts, coal tar oil alk. (annotation moved to); Phenol, sulfurated (annotation moved to) ... View More ...

CAS Number	4165-62-2
PubChem CID	12205419
IUPAC Name	2,3,4,5,6-pentadeuteriophenol
Molecular Formula	C6H6O
Molecular Weight	99.14
XLogP	1.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])O)[2H])[2H]

InChI

InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D

InChIKey

ISWSIDIOOBJBQZ-RALIUCGRSA-N

Chemical Structure

2D Structure

CAS: 4165-62-2

CID: 12205419

Formula: C6H6O

MW: 99.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	99.14
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	99.073248540
Monoisotopic Mass	99.073248540
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
Isotope Atom Count	5
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-T03952-01	Tamoxifen-d5 (Phenyl-ring-d5)
AR-C07675-01	Methyl trans-Cinnamate-d5 (phenyl-d5)
AR-P01681-01	Phenyl Acetate-d5
AR-A04812-01	Phenyl-d5-acetaldehyde
AR-B01436-01	Bestatin-d5 (Ubenimex-d5)
AR-B06567-01	Benzhexol-d5 (Trihexyphenidyl-d5)
AR-Z01104-01	Zofenopril-d5 (Benzoic-d5)
AR-E10711-01	Etomidate-d5 (ester-d5)
AR-S01446-01	Acetidenafil-d5 (Hongdenafil-d5)
AR-Z01109-01	Zofenopril-d5 (Thiophenyl-d5)

Catalog	Name
CS-T-60354	Phenol-d5
TRC-P318003-100MG	Phenol D5
TRC-E936401-2.5MG	Etofenprox-phenol-d5
HY-W753480	Phenol rutinoside-d5
011493	2-Ethoxy-d5-phenol
TRC-P715652-2.5MG	Phenol Rutinoside-d5 (Major)
TMIJ-0416-01	Phenol-d5 (2,3,4,5,6-d5)
HY-403978S	Benzamide-C6-N-Boc-C2-amide-phenol-d5
163124	Cis-5- (1,1-Dimethylnonyl) -2- (3-hydroxycyclohexyl) phenol-d5
TRC-P277242-50MG	2,4-bis(2-(Phenyl-d5)propan-2-yl)phenol