2-Chloro-5-nitrobenzoxazole - CAS 54120-91-1
Catalog: |
BB028509 |
Product Name: |
2-Chloro-5-nitrobenzoxazole |
CAS: |
54120-91-1 |
Synonyms: |
2-chloro-5-nitro-1,3-benzoxazole; 2-chloro-5-nitro-1,3-benzoxazole |
IUPAC Name: | 2-chloro-5-nitro-1,3-benzoxazole |
Description: | 2-Chloro-5-nitrobenzoxazole (CAS# 54120-91-1) is a useful research chemical compound. |
Molecular Weight: | 198.56 |
Molecular Formula: | C7H3ClN2O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])N=C(O2)Cl |
InChI: | InChI=1S/C7H3ClN2O3/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H |
InChI Key: | JDESVZPWUYUPRC-UHFFFAOYSA-N |
LogP: | 2.91260 |
Publication Number | Title | Priority Date |
WO-2020153433-A1 | Substituent-including urea compound | 20190124 |
TW-202043239-A | Urea compounds with substituents | 20190124 |
CN-113382767-A | Substituted urea compounds | 20190124 |
AU-2016284942-A1 | NADPH oxidase 4 inhibitors | 20150622 |
CA-2989098-A1 | Nadph oxidase 4 inhibitors | 20150622 |
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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