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1-(3,4-Dichlorophenyl)-2-phenylethanone

HCID 2758145
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIKey
KAFWXCAYPANGFU-UHFFFAOYSA-N
Molecular formula
C14H10Cl2O
Average molar mass
265.1 g/mol
Monoisotopic mass
264.0108703

Names & identifiers

Preferred name
1-(3,4-Dichlorophenyl)-2-phenylethanone
IUPAC
1-(3,4-dichlorophenyl)-2-phenylethanone

Names & synonyms

93534-22-61-(3,4-dichlorophenyl)-2-phenylethanone3',4'-Dichloro-2-phenylacetophenoneEthanone, 1-(3,4-dichlorophenyl)-2-phenyl-MFCD062016411-(3,4-dichlorophenyl)-2-phenylethan-1-one1-(3,4-dichlorophenyl)-2-phenyl-ethanoneSCHEMBL15157203,4-dichlorophenyl benzyl ketoneKAFWXCAYPANGFU-UHFFFAOYSA-N1-(3',4'-dichlorophenyl)-2-phenyl ethanone1-(3,4-dichlorophenyl)-2-phenyl-ethan-1-one
Show more names
F022886

Database identifiers

PubChem CID
2758145

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
261

Related reactions

10 records
New reaction record
HRID 307297 reaction equation
HRID 307297As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 343088 reaction equation
HRID 343088As reactantuspto-grants-1999_01
HRID 401026 reaction equation
HRID 401026As reactantuspto-grants-2014_06
HRID 401153 reaction equation
HRID 401153As productuspto-grants-2014_06
HRID 924812 reaction equation
HRID 924812As reactantuspto-grants-2016_03
HRID 924942 reaction equation
HRID 924942As productuspto-grants-2016_03
HRID 978161 reaction equation
HRID 978161As productuspto-grants-1987_05
HRID 1607210 reaction equation
HRID 1607210As productuspto-grants-1989_09
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Compound notes

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