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64988-76-7 molecular structure
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5-(chloromethyl)-3-cyclohexyl-1,2-oxazole

ChemBase ID: 307476
Molecular Formular: C10H14ClNO
Molecular Mass: 199.67726
Monoisotopic Mass: 199.07639175
SMILES and InChIs

SMILES:
n1c(cc(o1)CCl)C1CCCCC1
Canonical SMILES:
ClCc1onc(c1)C1CCCCC1
InChI:
InChI=1S/C10H14ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h6,8H,1-5,7H2
InChIKey:
GCAUWBAOTYXXGO-UHFFFAOYSA-N

Cite this record

CBID:307476 http://www.chembase.cn/molecule-307476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(chloromethyl)-3-cyclohexyl-1,2-oxazole
IUPAC Traditional name
5-(chloromethyl)-3-cyclohexyl-1,2-oxazole
Synonyms
5-(chloromethyl)-3-cyclohexylisoxazole
CAS Number
64988-76-7
MDL Number
MFCD08060021

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0899048  LogD (pH = 7.4) 3.0899067 
Log P 3.089907  Molar Refractivity 53.0381 cm3
Polarizability 20.235592 Å3 Polar Surface Area 26.03 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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