4-Bromo-2,5-dimethylnitrobenzene - CAS 15540-81-5
Catalog: |
BB011113 |
Product Name: |
4-Bromo-2,5-dimethylnitrobenzene |
CAS: |
15540-81-5 |
Synonyms: |
1-bromo-2,5-dimethyl-4-nitrobenzene; 1-bromo-2,5-dimethyl-4-nitrobenzene |
IUPAC Name: | 1-bromo-2,5-dimethyl-4-nitrobenzene |
Description: | 4-Bromo-2,5-dimethylnitrobenzene (CAS# 15540-81-5) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1Br)C)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8BrNO2/c1-5-4-8(10(11)12)6(2)3-7(5)9/h3-4H,1-2H3 |
InChI Key: | LGWQRRHGAQXGGS-UHFFFAOYSA-N |
LogP: | 3.49730 |
Publication Number | Title | Priority Date |
CN-113072741-A | Environment-friendly p-phenylenediamine anti-aging agent and preparation method and application thereof | 20210312 |
WO-2020157710-A1 | 4-substituted isoxazole/isoxazoline (hetero) arylamidine compounds, preparation and use thereof | 20190201 |
TW-202045008-A | 4-substituted isoxazole/isoxazoline (hetero) arylamidine compounds, preparation and use thereof | 20190201 |
CN-110770210-A | Novel amidine compounds | 20170518 |
EP-3625215-A1 | Formimidamidine compounds useful against phytopathogenic microorganisms | 20170518 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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