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1-Bromo-2-fluoro-4-methyl-5-(2,2,2-trichloro-ethyl)-benzene

HCID 59614589
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(F)c(Br)cc1CC(Cl)(Cl)Cl
InChIKey
ZLZXURJJFPNQBU-UHFFFAOYSA-N
Molecular formula
C9H7BrCl3F
Average molar mass
320.4 g/mol
Monoisotopic mass
317.87807

Names & identifiers

Preferred name
1-Bromo-2-fluoro-4-methyl-5-(2,2,2-trichloro-ethyl)-benzene
IUPAC
1-bromo-2-fluoro-4-methyl-5-(2,2,2-trichloroethyl)benzene

Names & synonyms

SCHEMBL249610ZLZXURJJFPNQBU-UHFFFAOYSA-N1-Bromo-2-fluoro-4-methyl-5-(2,2,2-trichloro-ethyl)-benzene

Database identifiers

PubChem CID
59614589

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
195

Related reactions

6 records
New reaction record
HRID 208242 reaction equation
HRID 208242As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 664635 reaction equation
HRID 664635As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1022384 reaction equation
HRID 1022384As productuspto-grants-2014_05
HRID 1022385 reaction equation
HRID 1022385As reactantuspto-grants-2014_05
HRID 1962372 reaction equation
HRID 1962372As productuspto-grants-2013_04
HRID 1962373 reaction equation
HRID 1962373As reactantuspto-grants-2013_04

Compound notes

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