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1-Fluoro-4-nitro-5-trichlorovinyl-2-trifluoromethyl-benzene

HCID 58964530
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1C(Cl)=C(Cl)Cl
InChIKey
YHELLQAGDZGQNG-UHFFFAOYSA-N
Molecular formula
C9H2Cl3F4NO2
Average molar mass
338.5 g/mol

Names & identifiers

Preferred name
1-Fluoro-4-nitro-5-trichlorovinyl-2-trifluoromethyl-benzene
IUPAC
1-fluoro-4-nitro-5-(1,2,2-trichloroethenyl)-2-(trifluoromethyl)benzene

Names & synonyms

1-fluoro-4-nitro-5-trichlorovinyl-2-trifluoromethyl-benzeneSCHEMBL5165209

Database identifiers

PubChem CID
58964530

Properties

Computed structural propertiesFilling in

XLogP
5
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
392

Related reactions

2 records
New reaction record
HRID 2069256 reaction equation
HRID 2069256As reactantuspto-grants-2012_10
HRID 2148977 reaction equation
HRID 2148977As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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