1-Bromo-4-(7-methoxyheptylthio)benzene

HCID 21997563
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Basic information

Standard SMILES
COCCCCCCCSc1ccc(Br)cc1
InChIKey
ZYRUPVAHFYFMJL-UHFFFAOYSA-N
Molecular formula
C14H21BrOS
Average molar mass
317.29 g/mol
Monoisotopic mass
316.04965

Names & identifiers

Preferred name
1-Bromo-4-(7-methoxyheptylthio)benzene
IUPAC
1-bromo-4-(7-methoxyheptylsulfanyl)benzene

Names & synonyms

SCHEMBL7319708ZYRUPVAHFYFMJL-UHFFFAOYSA-N1-bromo-4-(7-methoxyheptylthio)benzene

Database identifiers

PubChem CID
21997563

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
34.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
9
Heavy atoms
17

Related reactions

2 records
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Compound notes

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