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847610-86-0 molecular structure
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3-chloro-5-(chloromethyl)pyridine hydrochloride

ChemBase ID: 88546
Molecular Formular: C6H6Cl3N
Molecular Mass: 198.47754
Monoisotopic Mass: 196.95658224
SMILES and InChIs

SMILES:
n1cc(cc(c1)CCl)Cl.Cl
Canonical SMILES:
ClCc1cncc(c1)Cl.Cl
InChI:
InChI=1S/C6H5Cl2N.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H
InChIKey:
SLFIOMUSOAXIAV-UHFFFAOYSA-N

Cite this record

CBID:88546 http://www.chembase.cn/molecule-88546.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-5-(chloromethyl)pyridine hydrochloride
IUPAC Traditional name
3-chloro-5-(chloromethyl)pyridine hydrochloride
Synonyms
3-Chloro-5-(chloromethyl)pyridine hydrochloride
CAS Number
847610-86-0
PubChem SID
162075484
PubChem CID
67246305

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR40752 external link Add to cart Please log in.
Data Source Data ID
PubChem 67246305 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9456234  LogD (pH = 7.4) 1.9468446 
Log P 1.9468602  Molar Refractivity 38.5728 cm3
Polarizability 15.018258 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Harmful/Keep Cold/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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