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763043-85-2 molecular structure
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4-(chloromethyl)-3-methoxypyridine

ChemBase ID: 814959
Molecular Formular: C7H8ClNO
Molecular Mass: 157.59752
Monoisotopic Mass: 157.02944156
SMILES and InChIs

SMILES:
n1cc(c(cc1)CCl)OC
Canonical SMILES:
COc1cnccc1CCl
InChI:
InChI=1S/C7H8ClNO/c1-10-7-5-9-3-2-6(7)4-8/h2-3,5H,4H2,1H3
InChIKey:
PANZDSXMPCOVLQ-UHFFFAOYSA-N

Cite this record

CBID:814959 http://www.chembase.cn/molecule-814959.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(chloromethyl)-3-methoxypyridine
IUPAC Traditional name
4-(chloromethyl)-3-methoxypyridine
Synonyms
4-(chloromethyl)-3-methoxypyridine
CAS Number
763043-85-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37201 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37201 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) 1.126083  LogD (pH = 7.4) 1.1843351 
Log P 1.1851442  Molar Refractivity 40.2312 cm3
Polarizability 15.625767 Å3 Polar Surface Area 22.12 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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