3-Fluoro-4-iodophenol

CAT: 0127-PC103580-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC103580-01Size:100 mg

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CAS Number

122927-84-8

MDL Number

MFCD12407087

Purity

98%

Smiles

C1=CC(=C(C=C1O)F)I

Chemical Information

3-Fluoro-4-iodophenol

CAS Number	122927-84-8
PubChem CID	14833195
IUPAC Name	3-fluoro-4-iodophenol
Molecular Formula	C6H4FIO
Molecular Weight	238.00
XLogP	2.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

C1=CC(=C(C=C1O)F)I

InChI

InChI=1S/C6H4FIO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

InChIKey

CSQWLXZVUXRZFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 122927-84-8

CID: 14833195

Formula: C6H4FIO

MW: 238.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.00
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	237.92909
Monoisotopic Mass	237.92909
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