5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one - CAS 3889-13-2
Catalog: |
BB023791 |
Product Name: |
5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one |
CAS: |
3889-13-2 |
Synonyms: |
5-nitro-3H-1,3-benzoxazol-2-one; 5-nitro-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-nitro-3H-1,3-benzoxazol-2-one |
Description: | 5-Nitro-2,3-dihydro-1,3-benzoxazol-2-one (CAS# 3889-13-2) is a useful research chemical compound. |
Molecular Weight: | 180.12 |
Molecular Formula: | C7H4N2O4 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)O2 |
InChI: | InChI=1S/C7H4N2O4/c10-7-8-5-3-4(9(11)12)1-2-6(5)13-7/h1-3H,(H,8,10) |
InChI Key: | UTQPEXLRBRAERQ-UHFFFAOYSA-N |
Density: | 1.58 g/cm3 |
LogP: | 1.55250 |
Publication Number | Title | Priority Date |
CN-110935475-A | Preparation of recyclable supported catalyst and application method thereof in carbonyl oxidation reaction | 20191204 |
CN-207760254-U | A kind of purification devices of 2- Amino-5-nitrophenols | 20171219 |
KR-20200011986-A | Substituted Nitrogen-Containing Compounds | 20170601 |
TW-201902888-A | Substituted nitrogenous compound | 20170601 |
US-10501449-B2 | Substituted nitrogen containing compounds | 20170601 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.01710661 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.01710661 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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