2-Chlorophenol-3,4,5,6-d4

CAT: 0024-sc-256118Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-256118Size:100 mg

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CAS Number

93951-73-6

Chemical Information

Phen-2,3,4,5-d4-ol, 6-chloro-

CAS Number	93951-73-6
PubChem CID	16212938
IUPAC Name	2-chloro-3,4,5,6-tetradeuteriophenol
Molecular Formula	C6H5ClO
Molecular Weight	132.58
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

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

InChI

InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/i1D,2D,3D,4D

InChIKey

ISPYQTSUDJAMAB-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 93951-73-6

CID: 16212938

Formula: C6H5ClO

MW: 132.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.58
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	132.0279995
Monoisotopic Mass	132.0279995
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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
sc-505100	4-Chlorophenol-d4
sc-212378	Nicotinamide-2,4,5,6-d4
sc-211940	Myosmine-2,4,5,6-d4
sc-206642	3-Cyanopyridine-2,4,5,6-d4
sc-478344	3-Nitroaniline-2,4,5,6-d4
sc-478346	4-Nitroaniline-2,3,5,6-D4
sc-503960	4-Bromoaniline-2,3,5,6-d4
sc-238932	4-Nitrophenol-2,3,5,6-d4
sc-232584	4-Chlorobenzaldehyde-2,3,5,6-d4
sc-501210	4- (4-Chlorophenyl) -2,6-piperidinedione-d4

Catalog	Name
TMIJ-0415-01	2-Chlorophenol-d4 (3,4,5,6-d4)
TRC-C375042-25MG	4-Chlorophenol-d4
TRC-C993148-10MG	2-Chlorophenol-d4
I8957-51	Isonicoteine-3,4,5,6-d4 (2,3'-Bipyridine-3,4,5,6-d4, 2,3’-Dipyridyl-3,4,5,6-d4)
MBS6087128-01	Isonicoteine-3,4,5,6-d4 (2,3'-Bipyridine-3,4,5,6-d4, 2,3'-Dipyridyl-3,4,5,6-d4)
TRC-D105890-2.5G	2,4-Dibromo-6-chlorophenol
TRC-D425818-250MG	2,6-Dibromo-4-chlorophenol
G2024-72	Genistein-2’,3’,5’,6’-d4 (4',5,7-Trihydroxyisoflavone-2’,3’,5’,6’-d4)
MBS6015806-01	Genistein-2',3',5',6'-d4 (4',5,7-Trihydroxyisoflavone-2',3',5',6'-d4)
RM-C621504-01	2,6-Diiodo-4-Chlorophenol