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85920-81-6 molecular structure
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10-bromodecanal

ChemBase ID: 797551
Molecular Formular: C10H19BrO
Molecular Mass: 235.16126
Monoisotopic Mass: 234.06192723
SMILES and InChIs

SMILES:
C(=O)CCCCCCCCCBr
Canonical SMILES:
BrCCCCCCCCCC=O
InChI:
InChI=1S/C10H19BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h10H,1-9H2
InChIKey:
JRVIFIREWVQSDU-UHFFFAOYSA-N

Cite this record

CBID:797551 http://www.chembase.cn/molecule-797551.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-bromodecanal
IUPAC Traditional name
10-bromodecanal
Synonyms
Decanal, 10-bromo-
CAS Number
85920-81-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.785515  H Acceptors
H Donor LogD (pH = 5.5) 3.533963 
LogD (pH = 7.4) 3.533963  Log P 3.533963 
Molar Refractivity 56.5154 cm3 Polarizability 21.88188 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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