5-Chloro-4-methyl-2-nitroaniline - CAS 7149-80-6
Catalog: |
BB034406 |
Product Name: |
5-Chloro-4-methyl-2-nitroaniline |
CAS: |
7149-80-6 |
Synonyms: |
5-chloro-4-methyl-2-nitroaniline; 5-chloro-4-methyl-2-nitroaniline |
IUPAC Name: | 5-chloro-4-methyl-2-nitroaniline |
Description: | 5-Chloro-4-methyl-2-nitroaniline (CAS# 7149-80-6) is a useful research chemical. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7ClN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3 |
InChI Key: | BBWHBSDZHSQECL-UHFFFAOYSA-N |
Boiling Point: | 339.3 °C at 760 mmHg |
Density: | 1.415 g/cm3 |
MDL: | MFCD00034066 |
LogP: | 3.24320 |
Publication Number | Title | Priority Date |
AU-2016282289-A1 | HPK1 inhibitors and methods of using same | 20150625 |
EP-3322711-A1 | Hpk1 inhibitors and methods of using same | 20150625 |
TW-201718597-A | HPK1 inhibitor and method of use thereof | 20150625 |
US-10501474-B2 | HPK1 inhibitors and methods of using same | 20150625 |
US-2018179221-A1 | Hpk1 inhibitors and methods of using same | 20150625 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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