5-Chloro-2-(trifluoromethoxy)nitrobenzene - CAS 448-38-4
Catalog: |
BB025714 |
Product Name: |
5-Chloro-2-(trifluoromethoxy)nitrobenzene |
CAS: |
448-38-4 |
Synonyms: |
4-chloro-2-nitro-1-(trifluoromethoxy)benzene; 4-chloro-2-nitro-1-(trifluoromethoxy)benzene |
IUPAC Name: | 4-chloro-2-nitro-1-(trifluoromethoxy)benzene |
Description: | 5-Chloro-2-(trifluoromethoxy)nitrobenzene (CAS# 448-38-4) is a useful research chemical. |
Molecular Weight: | 241.55 |
Molecular Formula: | C7H3ClF3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC(F)(F)F |
InChI: | InChI=1S/C7H3ClF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H |
InChI Key: | HJUSPAGBVDNGSB-UHFFFAOYSA-N |
LogP: | 3.67000 |
Publication Number | Title | Priority Date |
CN-112159329-A | Co-production preparation method of o-amino trifluoromethoxybenzene and m-amino trifluoromethoxybenzene | 20200912 |
WO-2020084094-A1 | Nitration | 20181026 |
EP-3717464-A1 | Nitration | 20181026 |
CN-113302186-A | Nitration | 20181026 |
EP-3717464-B1 | Nitration | 20181026 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.9753551 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.9753551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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