2-Methyl-4-nitrobenzoxazole - CAS 478553-83-2
Catalog: |
BB026412 |
Product Name: |
2-Methyl-4-nitrobenzoxazole |
CAS: |
478553-83-2 |
Synonyms: |
2-methyl-4-nitro-1,3-benzoxazole; 2-methyl-4-nitro-1,3-benzoxazole |
IUPAC Name: | 2-methyl-4-nitro-1,3-benzoxazole |
Description: | 2-Methyl-4-nitrobenzoxazole (CAS# 478553-83-2 ) is a useful research chemical. |
Molecular Weight: | 178.14 |
Molecular Formula: | C8H6N2O3 |
Canonical SMILES: | CC1=NC2=C(C=CC=C2O1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O3/c1-5-9-8-6(10(11)12)3-2-4-7(8)13-5/h2-4H,1H3 |
InChI Key: | XREFCVYBUYJUNP-UHFFFAOYSA-N |
LogP: | 2.56760 |
Publication Number | Title | Priority Date |
AU-2018289759-A1 | Alpha, beta-unsaturated amide compound | 20170623 |
CA-3068158-A1 | .alpha.,.beta.-unsaturated amide compound | 20170623 |
JP-WO2018235926-A1 | α, β unsaturated amide compounds | 20170623 |
KR-20200019979-A | α, β unsaturated amide compounds | 20170623 |
WO-2018235926-A1 | Î', β-UNSATURATED AMIDE COMPOUND | 20170623 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03784206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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