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1,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

HCID 49820155
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(c1cc(Cl)c(Cl)c(Cl)c1)C(F)(F)F
InChIKey
ULFPANFVRPXMCZ-UHFFFAOYSA-N
Molecular formula
C9H4Cl3F3
Average molar mass
275.5 g/mol
Monoisotopic mass
273.933068

Names & identifiers

Preferred name
1,2,3-Trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene
IUPAC
1,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene

Names & synonyms

864736-87-81,2,3-trichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene1,2,3-Trichloro-5- (1-trifluoromethyl-vinyl) benzene1,2,3-trichloro-5-(1,1,1-trifluoroprop-2-en-2-yl)benzeneC9H4Cl3F3SCHEMBL113435MFCD22571495SY386247DB-238129G888131,2,3-trichloro-5-(1-trifluoromethyl-vinyl)benzene1,2,3-trichloro-5-(1-trifluoromethyl-vinyl)-benzene
Show more names
1,2,3-trichloro-5-[1-(trifluoromethyl)vinyl]benzene3,4,5-trichloro-1-(1-trifluoromethylethenyl)benzene1,2,3-trichloro-5-[1-(trifluoromethyl)ethenyl]benzene

Database identifiers

PubChem CID
49820155

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
239

Related reactions

36 records
New reaction record
HRID 532151 reaction equation
HRID 532151As productuspto-grants-2014_10
HRID 532154 reaction equation
HRID 532154As reactantuspto-grants-2014_10
HRID 532209 reaction equation
HRID 532209As reactantuspto-grants-2014_10
HRID 532228 reaction equation
HRID 532228As reactantuspto-grants-2014_10
HRID 532239 reaction equation
HRID 532239As reactantuspto-grants-2014_10
HRID 552638 reaction equation
HRID 552638As reactantuspto-grants-2011_05
HRID 552669 reaction equation
HRID 552669As reactantuspto-grants-2011_05
HRID 673264 reaction equation
HRID 673264As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes