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1,2-Dibromo-3,5-bis-trifluoromethylbenzene

HCID 6426498
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
FC(F)(F)c1cc(Br)c(Br)c(C(F)(F)F)c1
InChIKey
VFUGWIZUGKDDKV-UHFFFAOYSA-N
Molecular formula
C8H2Br2F6
Average molar mass
371.9 g/mol

Names & identifiers

Preferred name
1,2-Dibromo-3,5-bis-trifluoromethylbenzene
IUPAC
1,2-dibromo-3,5-bis(trifluoromethyl)benzene

Names & synonyms

1,2-Dibromo-3,5-bis-trifluoromethylbenzeneSCHEMBL56674001,5-Bis(trifluoromethyl)-2,3-dibromobenzene959073-15-5

Database identifiers

PubChem CID
6426498

Properties

Computed structural properties

XLogP
5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
248

Related reactions

1 records
New reaction record
HRID 150123 reaction equation
HRID 150123As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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