2,5-Dichlorophenol-d3

CAT: 1596-AR-P01645-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01645-01Size:10 Units

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CAS Number

1219803-68-5

Synonyms

2,5-dichlorophenol-D3

Molecular Formula

C6HD3Cl2O

Molecular Weight

166.02

API Name

Phenol

Chemical Information

2,5-Dichlorophenol-3,4,6-d3

CAS Number	1219803-68-5
PubChem CID	131869357
IUPAC Name	2,5-dichloro-3,4,6-trideuteriophenol
Molecular Formula	C6H4Cl2O
Molecular Weight	166.02
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	97

SMILES

[2H]C1=C(C(=C(C(=C1Cl)[2H])O)Cl)[2H]

InChI

InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H/i1D,2D,3D

InChIKey

RANCECPPZPIPNO-CBYSEHNBSA-N

Chemical Structure

2D Structure

CAS: 1219803-68-5

CID: 131869357

Formula: C6H4Cl2O

MW: 166.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.02
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	164.9827504
Monoisotopic Mass	164.9827504
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
Isotope Atom Count	3
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-P01644-01	2,5-Dichlorophenol
AR-M03102-01	5-Amino-2,4-dichlorophenol
AR-P01639-01	2,6-Dichlorophenol
AR-P29752-01	2,4-Dichlorophenol
AR-P32734-01	L-Proline-2,5,5-d3
AR-P31548-01	2-Bromo-5-picoline-d3
AR-B06784-01	2,5-Dichloro Benzoic Acid-d3
AR-B06727-01	5-Chloro-2-Fluorobenzoic Acid-d3
AR-M01126-01	5-Hydroxymebendazole-d3
AR-B02336-01	2,4-DB-d3 (4- (2,4-Dichlorophenoxy) butyric acid-d3)