2-Bromo-4-chloro-6-nitrotoluene - CAS 885518-95-6
Catalog: |
BB038967 |
Product Name: |
2-Bromo-4-chloro-6-nitrotoluene |
CAS: |
885518-95-6 |
Synonyms: |
1-bromo-5-chloro-2-methyl-3-nitrobenzene; 1-bromo-5-chloro-2-methyl-3-nitrobenzene |
IUPAC Name: | 1-bromo-5-chloro-2-methyl-3-nitrobenzene |
Description: | 2-Bromo-4-chloro-6-nitrotoluene (CAS# 885518-95-6) is a useful research chemical. |
Molecular Weight: | 250.48 |
Molecular Formula: | C7H5BrClNO2 |
Canonical SMILES: | CC1=C(C=C(C=C1[N+](=O)[O-])Cl)Br |
InChI: | InChI=1S/C7H5BrClNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3 |
InChI Key: | PONMYPMRWXBYEV-UHFFFAOYSA-N |
LogP: | 3.84230 |
Publication Number | Title | Priority Date |
AU-2010288455-A1 | Compounds and compositions as protein kinase inhibitors | 20090828 |
AU-2010288455-B2 | Compounds and compositions as protein kinase inhibitors | 20090828 |
CA-2771673-A1 | Compounds and compositions as protein kinase inhibitors | 20090828 |
CN-102596937-A | Compounds and compositions as protein kinase inhibitors | 20090828 |
EA-020479-B1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN B-Raf KINASE INHIBITORS | 20090828 |
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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