5-Chloro-2-iodophenol

CAT: 0127-OR70040-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR70040-01Size:1 g

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CAS Number

136808-72-5

MDL Number

MFCD09753473

Purity

=95%

Smiles

Oc1cc(Cl)ccc1I

Storage Conditions

Store at 2-8°C

Chemical Information

5-Chloro-2-iodophenol

CAS Number	136808-72-5
PubChem CID	6613333
IUPAC Name	5-chloro-2-iodophenol
Molecular Formula	C6H4ClIO
Molecular Weight	254.45
XLogP	2.9
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	99

SMILES

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

InChI

InChI=1S/C6H4ClIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

JIGSWDKRFQWANT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136808-72-5

CID: 6613333

Formula: C6H4ClIO

MW: 254.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.45
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	253.89954
Monoisotopic Mass	253.89954
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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