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22135-53-1 molecular structure
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1-(4-bromophenyl)butan-1-ol

ChemBase ID: 310563
Molecular Formular: C10H13BrO
Molecular Mass: 229.11362
Monoisotopic Mass: 228.01497704
SMILES and InChIs

SMILES:
c1(ccc(cc1)Br)C(O)CCC
Canonical SMILES:
CCCC(c1ccc(cc1)Br)O
InChI:
InChI=1S/C10H13BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3
InChIKey:
DQQQQAUVVHNVPH-UHFFFAOYSA-N

Cite this record

CBID:310563 http://www.chembase.cn/molecule-310563.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-bromophenyl)butan-1-ol
IUPAC Traditional name
1-(4-bromophenyl)butan-1-ol
Synonyms
1-(4-bromophenyl)-1-butanol
CAS Number
22135-53-1
MDL Number
MFCD00021926

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3583148  LogD (pH = 7.4) 3.3583148 
Log P 3.3583148  Molar Refractivity 54.0405 cm3
Polarizability 21.045748 Å3 Polar Surface Area 20.23 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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