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146775-28-2 molecular structure
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2-(chloromethyl)-5-phenylpyridine

ChemBase ID: 802152
Molecular Formular: C12H10ClN
Molecular Mass: 203.6675
Monoisotopic Mass: 203.05017701
SMILES and InChIs

SMILES:
n1c(ccc(c1)c1ccccc1)CCl
Canonical SMILES:
ClCc1ccc(cn1)c1ccccc1
InChI:
InChI=1S/C12H10ClN/c13-8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey:
YJFTUIPJJBKOQG-UHFFFAOYSA-N

Cite this record

CBID:802152 http://www.chembase.cn/molecule-802152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-5-phenylpyridine
IUPAC Traditional name
2-(chloromethyl)-5-phenylpyridine
Synonyms
2-(CHLOROMETHYL)-5-PHENYLPYRIDINE
CAS Number
146775-28-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18557 external link Add to cart
Data Source Data ID Price
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AJA-O18557 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) 3.0643644  LogD (pH = 7.4) 3.0714219 
Log P 3.0715127  Molar Refractivity 58.382 cm3
Polarizability 24.077705 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

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