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355013-79-5 molecular structure
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4-(chloromethyl)-2-methoxypyridine

ChemBase ID: 242947
Molecular Formular: C7H8ClNO
Molecular Mass: 157.59752
Monoisotopic Mass: 157.02944156
SMILES and InChIs

SMILES:
n1c(cc(CCl)cc1)OC
Canonical SMILES:
COc1nccc(c1)CCl
InChI:
InChI=1S/C7H8ClNO/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5H2,1H3
InChIKey:
SDOUAZHZDPGZHP-UHFFFAOYSA-N

Cite this record

CBID:242947 http://www.chembase.cn/molecule-242947.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(chloromethyl)-2-methoxypyridine
IUPAC Traditional name
4-(chloromethyl)-2-methoxypyridine
Synonyms
4-(chloromethyl)-2-methoxypyridine
CAS Number
355013-79-5
MDL Number
MFCD10698167
PubChem SID
164298857
PubChem CID
17948439

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17948439 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7786412  LogD (pH = 7.4) 1.7795897 
Log P 1.7796017  Molar Refractivity 40.5447 cm3
Polarizability 15.6283 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.027 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
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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