2-Chloro-4-methylbenzoxazole - CAS 1001185-81-4
Catalog: |
BB000090 |
Product Name: |
2-Chloro-4-methylbenzoxazole |
CAS: |
1001185-81-4 |
Synonyms: |
2-chloro-4-methyl-1,3-benzoxazole; 2-chloro-4-methyl-1,3-benzoxazole |
IUPAC Name: | 2-chloro-4-methyl-1,3-benzoxazole |
Description: | 2-Chloro-4-methylbenzoxazole (CAS# 1001185-81-4 ) is a useful research chemical. |
Molecular Weight: | 167.59 |
Molecular Formula: | C8H6ClNO |
Canonical SMILES: | CC1=C2C(=CC=C1)OC(=N2)Cl |
InChI: | InChI=1S/C8H6ClNO/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3 |
InChI Key: | ASUINKKWQLZQJB-UHFFFAOYSA-N |
LogP: | 2.78960 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019135778-A1 | Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions | 20171103 |
US-10865194-B2 | Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions | 20171103 |
CN-109923111-A | Antibiotic compound | 20160822 |
KR-20180098593-A | Useful as bicyclic hydroxamic acid inhibitors for histone deacetylase activity in mammals | 20151222 |
US-2009269305-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | 20080415 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0137915 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0137915 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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