2-Bromo-6-nitrobenzyl Alcohol - CAS 861106-91-4
Catalog: |
BB037827 |
Product Name: |
2-Bromo-6-nitrobenzyl Alcohol |
CAS: |
861106-91-4 |
Synonyms: |
(2-bromo-6-nitrophenyl)methanol; (2-bromo-6-nitrophenyl)methanol |
IUPAC Name: | (2-bromo-6-nitrophenyl)methanol |
Description: | 2-Bromo-6-nitrobenzyl Alcohol (CAS# 861106-91-4) is a useful research chemical. |
Molecular Weight: | 232.03 |
Molecular Formula: | C7H6BrNO3 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)CO)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6BrNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-3,10H,4H2 |
InChI Key: | QLLXWADSIGOEQZ-UHFFFAOYSA-N |
Boiling Point: | 332.6 °C at 760 mmHg |
Density: | 1.767 g/cm3 |
MDL: | MFCD11036298 |
LogP: | 2.37280 |
Publication Number | Title | Priority Date |
CA-2903137-A1 | Inhibitors of bruton's tyrosine kinase | 20130305 |
CA-2903137-C | Inhibitors of bruton's tyrosine kinase | 20130305 |
EP-2964642-A1 | Inhibitors of bruton's tyrosine kinase | 20130305 |
EP-2964642-B1 | Inhibitors of bruton's tyrosine kinase | 20130305 |
JP-2016510051-A | Inhibitor of breton-type tyrosine kinase | 20130305 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.95311 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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