4-Chloro-2,6-dinitrotoluene - CAS 35572-79-3
Catalog: |
BB022677 |
Product Name: |
4-Chloro-2,6-dinitrotoluene |
CAS: |
35572-79-3 |
Synonyms: |
5-chloro-2-methyl-1,3-dinitrobenzene; 5-chloro-2-methyl-1,3-dinitrobenzene |
IUPAC Name: | 5-chloro-2-methyl-1,3-dinitrobenzene |
Description: | 4-Chloro-2,6-dinitrotoluene (CAS# 35572-79-3) is a useful research chemical. |
Molecular Weight: | 216.58 |
Molecular Formula: | C7H5ClN2O4 |
Canonical SMILES: | CC1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5ClN2O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,1H3 |
InChI Key: | KEPIENQOWOJEBQ-UHFFFAOYSA-N |
Appearance: | Off-white powder |
LogP: | 3.51120 |
Publication Number | Title | Priority Date |
BR-PI0716224-A2 | Raf inhibitor compounds and methods of use thereof. | 20060831 |
CA-2662285-A1 | Raf inhibitor compounds and methods of use thereof | 20060831 |
CN-101553492-A | RAF inhibitor compounds and methods of use thereof | 20060831 |
EP-2057168-A2 | Raf inhibitor compounds and methods of use thereof | 20060831 |
JP-2010502650-A | Raf inhibitory compounds and methods of use thereof | 20060831 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9937843 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9937843 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 91.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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