5-Bromo-4-chloro-2-nitrotoluene - CAS 1268816-55-2
Catalog: |
BB006695 |
Product Name: |
5-Bromo-4-chloro-2-nitrotoluene |
CAS: |
1268816-55-2 |
Synonyms: |
1-bromo-2-chloro-5-methyl-4-nitrobenzene; 1-bromo-2-chloro-5-methyl-4-nitrobenzene |
IUPAC Name: | 1-bromo-2-chloro-5-methyl-4-nitrobenzene |
Description: | 5-Bromo-4-chloro-2-nitrotoluene (CAS# 1268816-55-2) is a useful research chemical. |
Molecular Weight: | 250.48 |
Molecular Formula: | C7H5BrClNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C7H5BrClNO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3 |
InChI Key: | TZHVMSQOHKXEFX-UHFFFAOYSA-N |
LogP: | 3.84230 |
Publication Number | Title | Priority Date |
AU-2012327183-A1 | PAK inhibitors for the treatment of cell proliferative disorders | 20111104 |
AU-2012327183-A8 | PAK inhibitors for the treatment of cell proliferative disorders | 20111104 |
CA-2854471-A1 | Pak inhibitors for the treatment of cell proliferative disorders | 20111104 |
EP-2773642-A1 | Pak inhibitors for the treatment of cell proliferative disorders | 20111104 |
JP-2014532724-A | PAK inhibitors for treating cell proliferative disorders | 20111104 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.91922 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.91922 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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