5-Chloro-7-nitrobenzoxazole - CAS 1356111-15-3
Catalog: |
BB008224 |
Product Name: |
5-Chloro-7-nitrobenzoxazole |
CAS: |
1356111-15-3 |
Synonyms: |
5-chloro-7-nitro-1,3-benzoxazole; 5-chloro-7-nitro-1,3-benzoxazole |
IUPAC Name: | 5-chloro-7-nitro-1,3-benzoxazole |
Description: | 5-Chloro-7-nitrobenzoxazole (CAS# 1356111-15-3 ) is a useful research chemical. |
Molecular Weight: | 198.56 |
Molecular Formula: | C7H3ClN2O3 |
Canonical SMILES: | C1=C(C=C2C(=C1[N+](=O)[O-])OC=N2)Cl |
InChI: | InChI=1S/C7H3ClN2O3/c8-4-1-5-7(13-3-9-5)6(2-4)10(11)12/h1-3H |
InChI Key: | KNEAFDRPEPJZOM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.91260 |
Publication Number | Title | Priority Date |
EP-1664039-A1 | 1,3-benzoxazolyl derivatives as kinase-inhibitors | 20030924 |
US-2006281762-A1 | 1,3-Benzoxazolyl derivatives as kinase inhibitors | 20030924 |
US-8242128-B2 | 1,3-benzoxazolyl derivatives as kinase inhibitors | 20030924 |
WO-2005037829-A1 | 1,3-benzoxazolyl derivatives as kinase-inhibitors | 20030924 |
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: | 2.2 |
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