2-Chloro-6-nitrobenzoxazole - CAS 39223-94-4
Catalog: |
BB023894 |
Product Name: |
2-Chloro-6-nitrobenzoxazole |
CAS: |
39223-94-4 |
Synonyms: |
2-chloro-6-nitro-1,3-benzoxazole; 2-chloro-6-nitro-1,3-benzoxazole |
IUPAC Name: | 2-chloro-6-nitro-1,3-benzoxazole |
Description: | 2-Chloro-6-nitrobenzoxazole (CAS# 39223-94-4) is a useful research chemical. |
Molecular Weight: | 198.56 |
Molecular Formula: | C7H3ClN2O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)Cl |
InChI: | InChI=1S/C7H3ClN2O3/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H |
InChI Key: | BRDWSRCZYYPRQZ-UHFFFAOYSA-N |
LogP: | 2.91260 |
Publication Number | Title | Priority Date |
AU-2017316742-A1 | Antibiotic compounds | 20160822 |
US-2019194179-A1 | Antibiotic compounds | 20160822 |
JP-H10330369-A | Heterocyclic compounds | 19970404 |
CA-1225404-A | Thio(cyclo)alkanepolycarboxylic acids containing heterocyclic substituents | 19830514 |
EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | 19830514 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.9832197 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.9832197 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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