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38070-81-4 molecular structure
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3,4-bis(chloromethyl)pyridine

ChemBase ID: 802173
Molecular Formular: C7H7Cl2N
Molecular Mass: 176.04318
Monoisotopic Mass: 174.99555459
SMILES and InChIs

SMILES:
n1cc(c(cc1)CCl)CCl
Canonical SMILES:
ClCc1cnccc1CCl
InChI:
InChI=1S/C7H7Cl2N/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H,3-4H2
InChIKey:
HKXIQVHSQFKAQN-UHFFFAOYSA-N

Cite this record

CBID:802173 http://www.chembase.cn/molecule-802173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-bis(chloromethyl)pyridine
IUPAC Traditional name
3,4-bis(chloromethyl)pyridine
Synonyms
3,4-BIS(CHLOROMETHYL)PYRIDINE
CAS Number
38070-81-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18584 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18584 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) 1.8705972  LogD (pH = 7.4) 1.9292425 
Log P 1.9300575  Molar Refractivity 43.6349 cm3
Polarizability 16.780107 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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