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15733-63-8 molecular structure
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(5-chloropentyl)benzene

ChemBase ID: 302109
Molecular Formular: C11H15Cl
Molecular Mass: 182.6898
Monoisotopic Mass: 182.08622816
SMILES and InChIs

SMILES:
c1ccc(cc1)CCCCCCl
Canonical SMILES:
ClCCCCCc1ccccc1
InChI:
InChI=1S/C11H15Cl/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey:
UXJLBVYYDZDPBV-UHFFFAOYSA-N

Cite this record

CBID:302109 http://www.chembase.cn/molecule-302109.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-chloropentyl)benzene
IUPAC Traditional name
(5-chloropentyl)benzene
Synonyms
5-Phenylamyl chloride
5-Phenyl-n-pentyl chloride
1-Chloro-5-phenylpentane
1-氯-5-苯基戊烷
CAS Number
15733-63-8
MDL Number
MFCD00037118
Beilstein Number
2355978

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.182855  LogD (pH = 7.4) 4.182855 
Log P 4.182855  Molar Refractivity 54.4829 cm3
Polarizability 21.283972 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
76-79°C/0.65mm expand Show data source
Density
1.014 expand Show data source
Refractive Index
1.5140 expand Show data source
TSCA Listed
expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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