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865610-66-8 molecular structure
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4-[5-(chloromethyl)-1,2-oxazol-3-yl]pyridine

ChemBase ID: 307474
Molecular Formular: C9H7ClN2O
Molecular Mass: 194.61768
Monoisotopic Mass: 194.02469053
SMILES and InChIs

SMILES:
n1c(cc(o1)CCl)c1ccncc1
Canonical SMILES:
ClCc1onc(c1)c1ccncc1
InChI:
InChI=1S/C9H7ClN2O/c10-6-8-5-9(12-13-8)7-1-3-11-4-2-7/h1-5H,6H2
InChIKey:
HYHWRCJFAXVHAE-UHFFFAOYSA-N

Cite this record

CBID:307474 http://www.chembase.cn/molecule-307474.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[5-(chloromethyl)-1,2-oxazol-3-yl]pyridine
IUPAC Traditional name
4-[5-(chloromethyl)-1,2-oxazol-3-yl]pyridine
Synonyms
4-[5-(chloromethyl)isoxazol-3-yl]pyridine
CAS Number
865610-66-8
MDL Number
MFCD08060018

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.655641  LogD (pH = 7.4) 1.6603769 
Log P 1.6604377  Molar Refractivity 49.8517 cm3
Polarizability 20.023722 Å3 Polar Surface Area 38.92 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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