3-Chloro-4-iodophenol

CAT: 0127-OR400917-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR400917-01Size:250 mg

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CAS Number

855403-42-8

MDL Number

MFCD17000018

Purity

99%

Smiles

Oc1ccc(I)c(Cl)c1

Chemical Information

3-Chloro-4-iodophenol

CAS Number	855403-42-8
PubChem CID	67449926
IUPAC Name	3-chloro-4-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=C1O)Cl)I

InChI

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

InChIKey

DIBGHLUZOSSRIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 855403-42-8

CID: 67449926

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

Catalog	Name
FC70239-01	4-Chloro-3-iodophenol
FJB40342	3-Chloro-4-iodophenol
RM-C621440-01	4-Chloro-2-Iodophenol
RM-C621420-01	2-Chloro-4-Iodophenol
JH515878	3-Chloro-5-iodophenol
FI00789-01	4-Iodophenol
FC148628	2-Chloro-5-iodophenol
TRC-I717505-50G	3-Iodophenol
IJB01377-01	4-Amino-3-iodophenol hydrochloride
sc-507007	2,3-Difluoro-4-iodophenol