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4350-41-8 molecular structure
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2-[(4-chlorophenyl)methyl]pyridine

ChemBase ID: 107288
Molecular Formular: C12H10ClN
Molecular Mass: 203.6675
Monoisotopic Mass: 203.05017701
SMILES and InChIs

SMILES:
Clc1ccc(Cc2ccccn2)cc1
Canonical SMILES:
Clc1ccc(cc1)Cc1ccccn1
InChI:
InChI=1S/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2
InChIKey:
XSVWMIMFDMJQRL-UHFFFAOYSA-N

Cite this record

CBID:107288 http://www.chembase.cn/molecule-107288.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-chlorophenyl)methyl]pyridine
IUPAC Traditional name
2-[(4-chlorophenyl)methyl]pyridine
Synonyms
2-(p-CHLOROBENZYL)PYRIDINE
2-(4-Chlorobenzyl)pyridine
CAS Number
4350-41-8
MDL Number
MFCD00006353
PubChem SID
162093411
PubChem CID
78054

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78054 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2390206  LogD (pH = 7.4) 3.3241181 
Log P 3.325328  Molar Refractivity 58.0193 cm3
Polarizability 22.64953 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Purity
97% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05203234 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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