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1243250-26-1 molecular structure
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3-chloro-5-(propan-2-yl)-1,2,4-oxadiazole

ChemBase ID: 309443
Molecular Formular: C5H7ClN2O
Molecular Mass: 146.57488
Monoisotopic Mass: 146.02469053
SMILES and InChIs

SMILES:
n1c(onc1Cl)C(C)C
Canonical SMILES:
CC(c1onc(n1)Cl)C
InChI:
InChI=1S/C5H7ClN2O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3
InChIKey:
FFTIXTYCNSSYIA-UHFFFAOYSA-N

Cite this record

CBID:309443 http://www.chembase.cn/molecule-309443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-5-(propan-2-yl)-1,2,4-oxadiazole
IUPAC Traditional name
3-chloro-5-isopropyl-1,2,4-oxadiazole
Synonyms
3-chloro-5-isopropyl-1,2,4-oxadiazole
CAS Number
1243250-26-1
MDL Number
MFCD17078886

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) 1.9264088  LogD (pH = 7.4) 1.9264088 
Log P 1.9264088  Molar Refractivity 35.8148 cm3
Polarizability 13.023992 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

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