2-Chloro-1,3-dimethyl-5-nitrobenzene - CAS 38560-96-2
Catalog: |
BB023704 |
Product Name: |
2-Chloro-1,3-dimethyl-5-nitrobenzene |
CAS: |
38560-96-2 |
Synonyms: |
2-chloro-1,3-dimethyl-5-nitrobenzene; 2-chloro-1,3-dimethyl-5-nitrobenzene |
IUPAC Name: | 2-chloro-1,3-dimethyl-5-nitrobenzene |
Description: | 2-Chloro-1,3-dimethyl-5-nitrobenzene (CAS# 38560-96-2) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=CC(=CC(=C1Cl)C)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8ClNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3 |
InChI Key: | XOTLSEJRAUKAPO-UHFFFAOYSA-N |
Boiling Point: | 283.751 °C at 760 mmHg |
Density: | 1.273 g/cm3 |
LogP: | 3.38820 |
Publication Number | Title | Priority Date |
US-10398783-B2 | Antiproliferative compounds and conjugates made therefrom | 20161020 |
US-2018110873-A1 | Antiproliferative compounds and conjugates made therefrom | 20161020 |
US-2019358339-A1 | Antiproliferative compounds and conjugates made therefrom | 20161020 |
WO-2018075842-A1 | Condensed benzodiazepine derivatives and conjugates made therefrom | 20161020 |
US-10869934-B2 | Antiproliferative compounds and conjugates made therefrom | 20161020 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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