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1-Bromo-2-[bis(4-fluorophenyl)methoxy]ethane

HCID 10568186
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
53915-75-6
Standard SMILES
Fc1ccc(C(OCCBr)c2ccc(F)cc2)cc1
InChIKey
MUKSLGKYFRLGOB-UHFFFAOYSA-N
Molecular formula
C15H13BrF2O
Average molar mass
327.16 g/mol
Monoisotopic mass
326.01178

Names & identifiers

Preferred name
1-Bromo-2-[bis(4-fluorophenyl)methoxy]ethane
IUPAC
1-[2-bromoethoxy-(4-fluorophenyl)methyl]-4-fluorobenzene

Names & synonyms

53915-75-61-bromo-2-[bis(4-fluorophenyl)methoxy]ethane4,4'-((2-Bromoethoxy)methylene)bis(fluorobenzene)SCHEMBL7437880Benzene, 1,1'-[(2-bromoethoxy)methylene]bis[4-fluoro-DTXSID00441898MUKSLGKYFRLGOB-UHFFFAOYSA-N1-[bis(4-fluorophenyl)methoxy]-2-bromoethane1-[bis(4-fluorophenyl) methoxy]-2-bromoethane1,1'-[(2-Bromoethoxy)methylene]bis(4-fluorobenzene)

Database identifiers

CAS
53915-75-6
PubChem CID
10568186
DTXSID
DTXSID00441898
Nikkaji
J1.183.797B

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
227

Related reactions

8 records
New reaction record
HRID 696621 reaction equation
HRID 696621As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1032338 reaction equation
HRID 1032338As productuspto-grants-1990_09
HRID 1032340 reaction equation
HRID 1032340As reactantuspto-grants-1990_09
HRID 1032341 reaction equation
HRID 1032341As reactantuspto-grants-1990_09
HRID 1032342 reaction equation
HRID 1032342As reactantuspto-grants-1990_09
HRID 1681365 reaction equation
HRID 1681365As productuspto-grants-1992_12
HRID 2310524 reaction equation
HRID 2310524As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2318798 reaction equation
HRID 2318798As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes