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157368-32-6 molecular structure
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3-chloro-6-methoxy-1,2-benzoxazole

ChemBase ID: 801432
Molecular Formular: C8H6ClNO2
Molecular Mass: 183.59174
Monoisotopic Mass: 183.00870612
SMILES and InChIs

SMILES:
c12onc(c1ccc(c2)OC)Cl
Canonical SMILES:
COc1ccc2c(c1)onc2Cl
InChI:
InChI=1S/C8H6ClNO2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3
InChIKey:
WPEIANAOXQFSGV-UHFFFAOYSA-N

Cite this record

CBID:801432 http://www.chembase.cn/molecule-801432.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-6-methoxy-1,2-benzoxazole
IUPAC Traditional name
3-chloro-6-methoxy-1,2-benzoxazole
Synonyms
3-CHLORO-6-METHOXY-1,2-BENZISOXAZOLE
CAS Number
157368-32-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17788 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17788 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) 2.0232196  LogD (pH = 7.4) 2.0232196 
Log P 2.0232196  Molar Refractivity 46.157 cm3
Polarizability 18.323925 Å3 Polar Surface Area 35.26 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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