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73998-96-6 molecular structure
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2,4-dichloro-5-(chloromethyl)pyridine

ChemBase ID: 799123
Molecular Formular: C6H4Cl3N
Molecular Mass: 196.46166
Monoisotopic Mass: 194.94093217
SMILES and InChIs

SMILES:
n1c(cc(c(c1)CCl)Cl)Cl
Canonical SMILES:
ClCc1cnc(cc1Cl)Cl
InChI:
InChI=1S/C6H4Cl3N/c7-2-4-3-10-6(9)1-5(4)8/h1,3H,2H2
InChIKey:
PZHIYZLLIBBPFK-UHFFFAOYSA-N

Cite this record

CBID:799123 http://www.chembase.cn/molecule-799123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-5-(chloromethyl)pyridine
IUPAC Traditional name
2,4-dichloro-5-(chloromethyl)pyridine
Synonyms
2,4-dichloro-5-(chloromethyl)pyridine
CAS Number
73998-96-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13369 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13369 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) 2.771081  LogD (pH = 7.4) 2.771082 
Log P 2.771082  Molar Refractivity 44.4389 cm3
Polarizability 17.02425 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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