2-Chloro-3,4-difluoronitrobenzene - CAS 169468-83-1
Catalog: |
BB012553 |
Product Name: |
2-Chloro-3,4-difluoronitrobenzene |
CAS: |
169468-83-1 |
Synonyms: |
3-chloro-1,2-difluoro-4-nitrobenzene; 3-chloro-1,2-difluoro-4-nitrobenzene |
IUPAC Name: | 3-chloro-1,2-difluoro-4-nitrobenzene |
Description: | 2-Chloro-3,4-difluoronitrobenzene (CAS# 169468-83-1) is a useful research chemical. |
Molecular Weight: | 193.54 |
Molecular Formula: | C6H2ClF2NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1[N+](=O)[O-])Cl)F)F |
InChI: | InChI=1S/C6H2ClF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H |
InChI Key: | MOKXBJZRTOPIFB-UHFFFAOYSA-N |
Boiling Point: | 245.8 ℃ at 760 mmHg |
Density: | 1.591 g/cm3 |
MDL: | MFCD06658262 |
LogP: | 3.04960 |
Publication Number | Title | Priority Date |
AU-2018228114-A1 | AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND | 20170228 |
EP-3590516-A1 | Antitumor-effect enhancer using pyrazolo[3,4-d]pyrimidine compound | 20170228 |
JP-WO2018159613-A1 | Antitumor effect enhancer using pyrazolo [3,4-d] pyrimidine compound | 20170228 |
KR-20190122764-A | Antitumor Effect Enhancers Using Pyrazolo [3,4-d] pyrimidine Compounds | 20170228 |
TW-201840568-A | Antitumor effect enhancer using pyrazolo[3,4-d]pyrimidine compound | 20170228 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.9742123 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.9742123 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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