3-Bromo-4-nitroaniline - CAS 40787-96-0
Catalog: |
BB024666 |
Product Name: |
3-Bromo-4-nitroaniline |
CAS: |
40787-96-0 |
Synonyms: |
3-bromo-4-nitroaniline; 3-bromo-4-nitroaniline |
IUPAC Name: | 3-bromo-4-nitroaniline |
Description: | 3-Bromo-4-nitroaniline (CAS# 40787-96-0) is a useful research chemical. |
Molecular Weight: | 217.02 |
Molecular Formula: | C6H5BrN2O2 |
Canonical SMILES: | C1=CC(=C(C=C1N)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C6H5BrN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2 |
InChI Key: | RLAIFIDRVAAEBW-UHFFFAOYSA-N |
Boiling Point: | 339.3 ℃ at 760 mmHg |
Density: | 1.812 g/cm3 |
MDL: | MFCD07783047 |
LogP: | 3.04390 |
Publication Number | Title | Priority Date |
KR-101480759-B1 | Azaindole derivatives, Trk inhibitoring composition and pharmaceutical compositions for prevention and treatment of diseases linked to Trk comprising the same | 20141001 |
KR-20140130084-A | Azaindole derivatives, Trk inhibitoring composition and pharmaceutical compositions for prevention and treatment of diseases linked to Trk comprising the same | 20141001 |
KR-20130106186-A | Azaindole derivative compounds, TrV inhibitor compositions comprising the same, and pharmaceutical compositions for the prevention and treatment of diseases related to TrV | 20120319 |
EP-2651412-A2 | Androgen receptor inhibitors and methods of use thereof | 20101214 |
US-2014088187-A1 | Androgen receptor inhibitors and methods of use thereof | 20101214 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.95344 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.95344 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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