2,4,5,6-Tetrachlorophenol-13C6

CAT: 0024-sc-475162Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475162Size:1 mg

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CAS Number

1246820-81-4

Chemical Information

2,4,5,6-Tetrachlorophenol-13C6

CAS Number	1246820-81-4
PubChem CID	71752410
IUPAC Name	2,3,4,6-tetrachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
Molecular Formula	C6H2Cl4O
Molecular Weight	237.8
XLogP	4.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	143

SMILES

[13CH]1=[13C]([13C](=[13C]([13C](=[13C]1Cl)Cl)Cl)O)Cl

InChI

InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

VGVRPFIJEJYOFN-IDEBNGHGSA-N

Chemical Structure

2D Structure

CAS: 1246820-81-4

CID: 71752410

Formula: C6H2Cl4O

MW: 237.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.8
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	237.903154
Monoisotopic Mass	235.906104
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	143
Isotope Atom Count	6
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-209337	2,4,5,6-Tetrachlorophenol
sc-238306	2,3,5,6-Tetrachlorophenol
sc-256293	2,3,4,5-Tetrachlorophenol
sc-475542	2,3,4,6-Tetrachlorophenol Sodium Salt
sc-477340	2,3,4,5,6-Pentachlorobenzeneamine-13C6
sc-474027	2,4,6-Tribromophenol-1,2,3,4,5,6-13C6
sc-474716	2,4,6-Trichlorophenol-13C6
sc-474779	2,4,5-Trichlorophenol-13C6
sc-489565	4-Hydroxybenzoic-1,2,3,4,5,6-13C6 Acid
sc-218409	Ethyl Nicotinate-1,2',3',4',5',6'-13C6

Catalog	Name
MBS6030982-01	2,4,5,6-Tetrachlorophenol-13C6
AR-P01586-01	Tetrachlorophenol-13C6
AR-P01594-01	2,4,5,6- Tetrachlorophenol
CS-T-43522	2,4,5,6-Tetrachlorophenol
419999-01	2,3,5,6-Tetrachlorophenol
RG-T052071-01	2,3,4,6-Tetrachlorophenol
HY-W495759-01	2,3,4,5-Tetrachlorophenol
MBS6108046-01	2,4,5,6-Tetrachlorophenol (contains 10% pentachlorophenol)
T02758-01	2,3,5,6-Tetrachlorophenol 98%
T02750-01	2,3,4,6-Tetrachlorophenol 85%