2-Methyl-3,5-dinitrobenzyl alcohol - CAS 80866-94-0
Catalog: |
BB036573 |
Product Name: |
2-Methyl-3,5-dinitrobenzyl alcohol |
CAS: |
80866-94-0 |
Synonyms: |
(2-methyl-3,5-dinitrophenyl)methanol |
IUPAC Name: | (2-methyl-3,5-dinitrophenyl)methanol |
Description: | 2-Methyl-3,5-dinitrobenzyl alcohol (CAS# 80866-94-0 ) is a useful research chemical. |
Molecular Weight: | 212.16 |
Molecular Formula: | C8H8N2O5 |
Canonical SMILES: | CC1=C(C=C(C=C1CO)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C8H8N2O5/c1-5-6(4-11)2-7(9(12)13)3-8(5)10(14)15/h2-3,11H,4H2,1H3 |
InChI Key: | HLBXFLNVFJFEKD-UHFFFAOYSA-N |
Boiling Point: | 420.3 ℃ at 760 mmHg |
Density: | 1.481 g/cm3 |
LogP: | 2.35010 |
Publication Number | Title | Priority Date |
DE-102009048825-A1 | Electrorheological fluid with organic dopants and use thereof | 20091009 |
EP-2486115-A1 | Electrorheological fluid comprising organic dopants, and use thereof | 20091009 |
EP-2486115-B1 | Electrorheologic fluid comprising organic substances that can be doped and use thereof | 20091009 |
WO-2011042117-A1 | Electrorheological fluid comprising organic dopants, and use thereof | 20091009 |
DE-102008035861-A1 | New coupler components | 20080801 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.04332136 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.04332136 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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