2-Chloro-3-nitrobenzotrifluoride - CAS 39974-35-1
Catalog: |
BB024230 |
Product Name: |
2-Chloro-3-nitrobenzotrifluoride |
CAS: |
39974-35-1 |
Synonyms: |
2-chloro-1-nitro-3-(trifluoromethyl)benzene |
IUPAC Name: | 2-chloro-1-nitro-3-(trifluoromethyl)benzene |
Description: | 2-Chloro-3-nitrobenzotrifluoride (CAS# 39974-35-1) is used in the synthesis of highly potent and orally effective Inhibitors of FABP4 for anti-inflammation. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(F)(F)F |
InChI: | InChI=1S/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H |
InChI Key: | TWABRHQBRWLSSE-UHFFFAOYSA-N |
Boiling Point: | 234.6 °C at 760 mmHg |
Density: | 1.537 g/cm3 |
MDL: | MFCD14525509 |
LogP: | 3.79020 |
Publication Number | Title | Priority Date |
CN-112939818-A | Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride | 20191211 |
EP-3252038-A1 | N-benzoate group substituted benzopyrroline-2-one derivative and use thereof | 20150128 |
US-2017368028-A1 | N-benzoate group substituted benzopyrroline-2-one derivative and use thereof | 20150128 |
WO-2016119641-A1 | N-benzoate group substituted benzopyrroline-2-one derivative and use thereof | 20150128 |
CN-105801454-A | Method for preparation of 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride | 20141231 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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