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1-(Bromomethyl)-4-(tetradecyloxy)benzene

HCID 10022840
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCCCCCCCCCOc1ccc(CBr)cc1
InChIKey
BODOSVSSNFXFFX-UHFFFAOYSA-N
Molecular formula
C21H35BrO
Average molar mass
383.4 g/mol

Names & identifiers

Preferred name
1-(Bromomethyl)-4-(tetradecyloxy)benzene
IUPAC
1-(bromomethyl)-4-tetradecoxybenzene

Names & synonyms

SCHEMBL9308805BODOSVSSNFXFFX-UHFFFAOYSA-N1-(bromomethyl)-4-(tetradecyloxy)benzene

Database identifiers

PubChem CID
10022840

Properties

Computed structural properties

XLogP
9.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
15
Heavy atoms
23
Formal charge
0
Complexity
236

Related reactions

16 records
New reaction record
HRID 166244 reaction equation
HRID 166244As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 192529 reaction equation
HRID 192529As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 235703 reaction equation
HRID 235703As reactantuspto-grants-1987_02
HRID 247930 reaction equation
HRID 247930As productuspto-grants-1993_05
HRID 247978 reaction equation
HRID 247978As reactantuspto-grants-1993_05
HRID 247981 reaction equation
HRID 247981As reactantuspto-grants-1993_05
HRID 247985 reaction equation
HRID 247985As reactantuspto-grants-1993_05
HRID 248023 reaction equation
HRID 248023As reactantuspto-grants-1993_05
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Compound notes

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