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4-Iodo-2-methyl-1,1'-biphenyl

HCID 10891709
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(I)ccc1-c1ccccc1
InChIKey
DLGJDXSUHCXMNF-UHFFFAOYSA-N
Molecular formula
C13H11I
Average molar mass
294.13 g/mol
Monoisotopic mass
293.99055

Names & identifiers

Preferred name
4-Iodo-2-methyl-1,1'-biphenyl
IUPAC
4-iodo-2-methyl-1-phenylbenzene

Names & synonyms

4-Iodo-2-methyl-1,1'-biphenyl230961-96-34-iodo-2-methyl-1-phenylbenzeneSCHEMBL456233SCHEMBL7110136DLGJDXSUHCXMNF-UHFFFAOYSA-NMFCD14702042H74032

Database identifiers

PubChem CID
10891709

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
172

Related reactions

4 records
New reaction record
HRID 195179 reaction equation
HRID 195179As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1143936 reaction equation
HRID 1143936As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1701007 reaction equation
HRID 1701007As reactantuspto-grants-2002_02
HRID 1701010 reaction equation
HRID 1701010As productuspto-grants-2002_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes