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1-Bromo-4-(1-methyl-hexyloxy)-benzene

HCID 20096785
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCC(C)Oc1ccc(Br)cc1
InChIKey
YWZAQNLWKRVYHD-UHFFFAOYSA-N
Molecular formula
C13H19BrO
Average molar mass
271.19 g/mol

Names & identifiers

Preferred name
1-Bromo-4-(1-methyl-hexyloxy)-benzene
IUPAC
1-bromo-4-heptan-2-yloxybenzene

Names & synonyms

SCHEMBL2566361YWZAQNLWKRVYHD-UHFFFAOYSA-N1-Bromo-4-(1-methyl-hexyloxy)-benzene

Database identifiers

PubChem CID
20096785

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
153

Related reactions

6 records
New reaction record
HRID 207900 reaction equation
HRID 207900As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 948634 reaction equation
HRID 948634As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1725091 reaction equation
HRID 1725091As productuspto-grants-2009_02
HRID 1725092 reaction equation
HRID 1725092As reactantuspto-grants-2009_02
HRID 2099035 reaction equation
HRID 2099035As productuspto-grants-2009_08
HRID 2099036 reaction equation
HRID 2099036As reactantuspto-grants-2009_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes