2,4-Dichloro-6-iodophenol

CAT: 0127-OR92336-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR92336-01Size:250 mg

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CAS Number

2040-83-7

MDL Number

MFCD00086134

Purity

98%

Smiles

C1=C(C=C(C(=C1Cl)O)I)Cl

Chemical Information

2,4-Dichloro-6-iodophenol

CAS Number	2040-83-7
PubChem CID	4559010
IUPAC Name	2,4-dichloro-6-iodophenol
Molecular Formula	C6H3Cl2IO
Molecular Weight	288.89
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1=C(C=C(C(=C1Cl)O)I)Cl

InChI

InChI=1S/C6H3Cl2IO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

UMDKVOOEGYNMEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2040-83-7

CID: 4559010

Formula: C6H3Cl2IO

MW: 288.89

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.89
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	287.86057
Monoisotopic Mass	287.86057
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
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
DRB33219-01	3,5-Dichloro-2-iodophenol
FD67247	2,6-Dimethyl-4-iodophenol
JH96260	4-bromo-2-fluoro-6-iodophenol
KCA80327-01	2-Bromo-6-tert-butyl-4-iodophenol
ICA45691-01	2-Aminomethyl-4-t-butyl-6-iodophenol
277974-01	2-Fluoro-4-iodophenol
TRC-H947620-2.5G	4-(Hydroxymethyl)-2-iodophenol
RM-C621440-01	4-Chloro-2-Iodophenol
IFA43098-01	2-Bromo-4-iodophenol
ZDA96917-01	2-amino-4-iodophenol