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24423-11-8 molecular structure
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2-chlorophenanthrene

ChemBase ID: 90911
Molecular Formular: C14H9Cl
Molecular Mass: 212.67426
Monoisotopic Mass: 212.03927797
SMILES and InChIs

SMILES:
Clc1ccc2c(c1)ccc1ccccc21
Canonical SMILES:
Clc1ccc2c(c1)ccc1c2cccc1
InChI:
InChI=1S/C14H9Cl/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H
InChIKey:
HJNAELFLZXCHQK-UHFFFAOYSA-N

Cite this record

CBID:90911 http://www.chembase.cn/molecule-90911.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chlorophenanthrene
IUPAC Traditional name
phenanthrene, 2-chloro-
Synonyms
2-Chlorophenanthrene
CAS Number
24423-11-8
PubChem SID
162077620
PubChem CID
32363

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 32363 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.556244  LogD (pH = 7.4) 4.556244 
Log P 4.556244  Molar Refractivity 63.7632 cm3
Polarizability 27.407896 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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