2-Bromo-1-ethyl-3-nitrobenzene - CAS 59255-96-8
Catalog: |
BB030316 |
Product Name: |
2-Bromo-1-ethyl-3-nitrobenzene |
CAS: |
59255-96-8 |
Synonyms: |
2-bromo-1-ethyl-3-nitrobenzene; 2-bromo-1-ethyl-3-nitrobenzene |
IUPAC Name: | 2-bromo-1-ethyl-3-nitrobenzene |
Description: | 2-Bromo-1-ethyl-3-nitrobenzene (CAS# 59255-96-8 ) is a useful research chemical. |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | CCC1=C(C(=CC=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C8H8BrNO2/c1-2-6-4-3-5-7(8(6)9)10(11)12/h3-5H,2H2,1H3 |
InChI Key: | IPETVEOHJXQCIK-UHFFFAOYSA-N |
LogP: | 3.44290 |
Publication Number | Title | Priority Date |
US-2015038510-A1 | Cinnoline derivatives | 20120327 |
US-9365566-B2 | Cinnoline derivatives | 20120327 |
WO-2013148603-A1 | Cinnoline derivatives as as btk inhibitors | 20120327 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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