2-Chloro-4-iodophenol - CAS 116130-33-7

Catalog:	BB054773
Product Name:	2-Chloro-4-iodophenol
CAS:	116130-33-7
Synonyms:	Phenol, 2-chloro-4-iodo-; 2-Chloro-4-iodo-phenol

Technical Data

Computed Properties

IUPAC Name:	2-chloro-4-iodophenol
Molecular Weight:	254.45
Molecular Formula:	C6H4ClIO
Canonical SMILES:	C1=CC(=C(C=C1I)Cl)O
InChI:	InChI=1S/C6H4ClIO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChI Key:	OZCYPGKPOUZZSO-UHFFFAOYSA-N
Boiling Point:	270.1±25.0 °C at 760 mmHg
Purity:	95%
Density:	2.1±0.1 g/cm3

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Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.89954
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.89954
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8