4-Iodo-2-phenylphenol

CAT: 0926-MDA44119-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-MDA44119-01Size:0.5 g

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CAS Number

87441-19-8

MDL Number

MFCD11110537

Smiles

C1=CC=C (C=C1) C2=C (C=CC (=C2) I) O

Molecular Formula

C12H9IO

Molecular Weight

296.1 g/mol

Controlled

Chemical Information

4-Iodo-2-phenylphenol

CAS Number	87441-19-8
PubChem CID	13140161
IUPAC Name	4-iodo-2-phenylphenol
Molecular Formula	C12H9IO
Molecular Weight	296.10
XLogP	3.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	177

SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)I)O

InChI

InChI=1S/C12H9IO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,14H

InChIKey

RNAKFENSCBCFIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87441-19-8

CID: 13140161

Formula: C12H9IO

MW: 296.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.10
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	295.96981
Monoisotopic Mass	295.96981
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177
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