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(1-Bromoprop-1-en-2-yl)-3,4-dichlorobenzene

HCID 86635503
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=CBr)c1ccc(Cl)c(Cl)c1
InChIKey
KXSBFMZEXKZGJC-UHFFFAOYSA-N
Molecular formula
C9H7BrCl2
Average molar mass
265.96 g/mol
Monoisotopic mass
263.91082

Names & identifiers

Preferred name
(1-Bromoprop-1-en-2-yl)-3,4-dichlorobenzene
IUPAC
4-(1-bromoprop-1-en-2-yl)-1,2-dichlorobenzene

Names & synonyms

SCHEMBL1120614KXSBFMZEXKZGJC-UHFFFAOYSA-N(1-Bromoprop-1-en-2-yl)-3,4-dichlorobenzene4-(1-bromoprop-1-en-2-yl)-1,2-dichlorobenzene

Database identifiers

PubChem CID
86635503

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
179

Related reactions

27 records
New reaction record
HRID 816470 reaction equation
HRID 816470As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 822217 reaction equation
HRID 822217As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 834653 reaction equation
HRID 834653As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1045614 reaction equation
HRID 1045614As reactantuspto-grants-2013_10
HRID 1045619 reaction equation
HRID 1045619As reactantuspto-grants-2013_10
HRID 1115154 reaction equation
HRID 1115154As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1136082 reaction equation
HRID 1136082As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1400430 reaction equation
HRID 1400430As reactantuspto-grants-2014_12
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Compound notes

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