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(((10-Bromodecyl)oxy)methyl)benzene

HCID 13478286
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88088-72-6
Standard SMILES
BrCCCCCCCCCCOCc1ccccc1
InChIKey
AUWKIZKSEUPQRU-UHFFFAOYSA-N
Molecular formula
C17H27BrO
Average molar mass
327.3 g/mol
Monoisotopic mass
326.12453

Names & identifiers

Preferred name
(((10-Bromodecyl)oxy)methyl)benzene
IUPAC
10-bromodecoxymethylbenzene

Names & synonyms

88088-72-6(((10-bromodecyl)oxy)methyl)benzene{[(10-BROMODECYL)OXY]METHYL}BENZENEBenzene, [[(10-bromodecyl)oxy]methyl]-10-Benzyloxydecanyl bromideSCHEMBL580258DTXSID10541797AUWKIZKSEUPQRU-UHFFFAOYSA-N(10-Bromo-decyloxymethyl)-benzene1-((10-bromodecanoxy)methyl)benzene

Database identifiers

CAS
88088-72-6
PubChem CID
13478286
DTXSID
DTXSID10541797

Properties

Computed structural propertiesFilling in

XLogP
5.9
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
12
Heavy atoms
19
Formal charge
0
Complexity
178

Related reactions

7 records
New reaction record
HRID 207102 reaction equation
HRID 207102As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 371265 reaction equation
HRID 371265As productuspto-grants-1985_07
HRID 371266 reaction equation
HRID 371266As reactantuspto-grants-1985_07
HRID 940885 reaction equation
HRID 940885As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1367765 reaction equation
HRID 1367765As productuspto-grants-2011_02
HRID 2163013 reaction equation
HRID 2163013As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2204037 reaction equation
HRID 2204037As reactantuspto-grants-2016_06

Compound notes

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