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5632-17-7 molecular structure
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4-(chloromethyl)quinoline

ChemBase ID: 802187
Molecular Formular: C10H8ClN
Molecular Mass: 177.63022
Monoisotopic Mass: 177.03452694
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(ccn2)CCl
Canonical SMILES:
ClCc1ccnc2c1cccc2
InChI:
InChI=1S/C10H8ClN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKey:
OLSKQWRLRYMCAO-UHFFFAOYSA-N

Cite this record

CBID:802187 http://www.chembase.cn/molecule-802187.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(chloromethyl)quinoline
IUPAC Traditional name
4-(chloromethyl)quinoline
Synonyms
4-CHLOROMETHYL-QUINOLINE
CAS Number
5632-17-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18598 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18598 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6865103  LogD (pH = 7.4) 2.7177281 
Log P 2.7181425  Molar Refractivity 49.8462 cm3
Polarizability 20.62397 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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