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91-58-7 molecular structure
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2-chloronaphthalene

ChemBase ID: 110647
Molecular Formular: C10H7Cl
Molecular Mass: 162.61558
Monoisotopic Mass: 162.0236279
SMILES and InChIs

SMILES:
Clc1ccc2ccccc2c1
Canonical SMILES:
Clc1ccc2c(c1)cccc2
InChI:
InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey:
CGYGETOMCSJHJU-UHFFFAOYSA-N

Cite this record

CBID:110647 http://www.chembase.cn/molecule-110647.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloronaphthalene
IUPAC Traditional name
2-chloronaphthalene
Synonyms
2-Chloronaphthalene
β-CHLORONAPTHALENE
CAS Number
91-58-7
MDL Number
MFCD00035731
PubChem SID
162090518
PubChem CID
7056

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7056 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5667672  LogD (pH = 7.4) 3.5667672 
Log P 3.5667672  Molar Refractivity 47.313 cm3
Polarizability 19.765703 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05215814 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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