2-Chloro-3-iodophenol

CAT: 0127-OR46706-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR46706-01Size:100 mg

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CAS Number

666727-31-7

MDL Number

MFCD08166415

Purity

95%

Smiles

Oc1cccc(I)c1Cl

Chemical Information

2-Chloro-3-iodophenol

CAS Number	666727-31-7
PubChem CID	11379814
IUPAC Name	2-chloro-3-iodophenol
Molecular Formula	C6H4ClIO
Molecular Weight	254.45
XLogP	2.8
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(=C1)I)Cl)O

InChI

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

InChIKey

OXCDLZCOMWIYQR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 666727-31-7

CID: 11379814

Formula: C6H4ClIO

MW: 254.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	254.45
XLogP3	2.8
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