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63816-18-2 molecular structure
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6-chloro-2-methyl-1,3-benzoxazole

ChemBase ID: 806272
Molecular Formular: C8H6ClNO
Molecular Mass: 167.59234
Monoisotopic Mass: 167.0137915
SMILES and InChIs

SMILES:
c12oc(nc1ccc(c2)Cl)C
Canonical SMILES:
Clc1ccc2c(c1)oc(n2)C
InChI:
InChI=1S/C8H6ClNO/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChIKey:
LAZJZCLGDISMLM-UHFFFAOYSA-N

Cite this record

CBID:806272 http://www.chembase.cn/molecule-806272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-methyl-1,3-benzoxazole
IUPAC Traditional name
6-chloro-2-methyl-1,3-benzoxazole
Synonyms
6-CHLORO-2-METHYLBENZOXAZOLE
CAS Number
63816-18-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23725 external link Add to cart
Data Source Data ID Price
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AJA-O23725 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) 2.0469637  LogD (pH = 7.4) 2.0469747 
Log P 2.046975  Molar Refractivity 41.9686 cm3
Polarizability 17.453066 Å3 Polar Surface Area 26.03 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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