1-Chloro-2-nitro-4-(trifluoromethoxy)benzene - CAS 588-09-0
Catalog: |
BB030168 |
Product Name: |
1-Chloro-2-nitro-4-(trifluoromethoxy)benzene |
CAS: |
588-09-0 |
Synonyms: |
1-chloro-2-nitro-4-(trifluoromethoxy)benzene; 1-chloro-2-nitro-4-(trifluoromethoxy)benzene |
IUPAC Name: | 1-chloro-2-nitro-4-(trifluoromethoxy)benzene |
Description: | 1-Chloro-2-nitro-4-(trifluoromethoxy)benzene (CAS# 588-09-0) is a useful research chemical. |
Molecular Weight: | 241.55 |
Molecular Formula: | C7H3ClF3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H |
InChI Key: | WMEHRJJXMQRTOU-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 |
EP-3717464-A1 | Nitration | 20181026 |
CN-113302186-A | Nitration | 20181026 |
EP-3717464-B1 | Nitration | 20181026 |
CN-108530240-B | Method for aromatic amine trifluoromethoxylation reaction | 20180409 |
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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