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1-Bromo-3-(2-methyl-1-propenyl)benzene

HCID 21706836
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)=Cc1cccc(Br)c1
InChIKey
KMDGNJSSMWWBAK-UHFFFAOYSA-N
Molecular formula
C10H11Br
Average molar mass
211.1 g/mol

Names & identifiers

Preferred name
1-Bromo-3-(2-methyl-1-propenyl)benzene
IUPAC
1-bromo-3-(2-methylprop-1-enyl)benzene

Names & synonyms

64781-38-0SCHEMBL1812867KMDGNJSSMWWBAK-UHFFFAOYSA-N3-(iso-buten-1-yl)-phenylbromideMFCD341871931-Bromo-3-(2-methyl-1-propenyl)benzene1-Bromo-3-(2-methyl-1-propen-1-yl)-benZeneBenzene, 1-bromo-3-(2-methyl-1-propen-1-yl)-

Database identifiers

PubChem CID
21706836

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
145

Related reactions

4 records
New reaction record
HRID 466643 reaction equation
HRID 466643As productuspto-grants-1992_10
HRID 672761 reaction equation
HRID 672761As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1594944 reaction equation
HRID 1594944As productuspto-grants-2001_09
HRID 1594945 reaction equation
HRID 1594945As reactantuspto-grants-2001_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes