2-Methyl-5-nitrobenzoxazole - CAS 32046-51-8
Catalog: |
BB021140 |
Product Name: |
2-Methyl-5-nitrobenzoxazole |
CAS: |
32046-51-8 |
Synonyms: |
2-methyl-5-nitro-1,3-benzoxazole; 2-methyl-5-nitro-1,3-benzoxazole |
IUPAC Name: | 2-methyl-5-nitro-1,3-benzoxazole |
Description: | 2-Methyl-5-nitrobenzoxazole (CAS# 32046-51-8) is a useful research chemical. |
Molecular Weight: | 178.14 |
Molecular Formula: | C8H6N2O3 |
Canonical SMILES: | CC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6N2O3/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3 |
InChI Key: | UCZSXRHVXKAGFU-UHFFFAOYSA-N |
Boiling Point: | 303.1 ℃ at 760 mmHg |
Density: | 1.395 g/cm3 |
MDL: | MFCD00466748 |
LogP: | 2.56760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2017518339-A | Anti-infective compounds | 20140620 |
KR-20170030535-A | Anti-infective compounds | 20140620 |
US-2017121349-A1 | Anti-Infective Compounds | 20140620 |
WO-2015193506-A1 | Anti-infective compounds | 20140620 |
EP-3157904-B1 | Anti-infective compounds | 20140620 |
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 Å2 |
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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