2-Methyl-4-nitrobenzyl Alcohol - CAS 22162-15-8
Catalog: |
BB017430 |
Product Name: |
2-Methyl-4-nitrobenzyl Alcohol |
CAS: |
22162-15-8 |
Synonyms: |
(2-methyl-4-nitrophenyl)methanol; (2-methyl-4-nitrophenyl)methanol |
IUPAC Name: | (2-methyl-4-nitrophenyl)methanol |
Description: | 2-Methyl-4-nitrobenzyl Alcohol (CAS# 22162-15-8) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(C=CC(=C1)[N+](=O)[O-])CO |
InChI: | InChI=1S/C8H9NO3/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-4,10H,5H2,1H3 |
InChI Key: | PXSWIWNWHAUARP-UHFFFAOYSA-N |
LogP: | 1.91870 |
Publication Number | Title | Priority Date |
WO-2020236825-A2 | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
AU-2017222908-A1 | Novel condensed pyrimidine compound or salt thereof | 20160223 |
AU-2017222908-A2 | Novel condensed pyrimidine compound or salt thereof | 20160223 |
EP-3269370-A1 | Novel condensed pyrimidine compound or salt thereof | 20160223 |
EP-3269370-B1 | Novel condensed pyrimidine compound or salt thereof | 20160223 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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