1-(3-Nitrophenyl)ethanol - CAS 5400-78-2
Catalog: |
BB028453 |
Product Name: |
1-(3-Nitrophenyl)ethanol |
CAS: |
5400-78-2 |
Synonyms: |
1-(3-nitrophenyl)ethanol; 1-(3-nitrophenyl)ethanol |
IUPAC Name: | 1-(3-nitrophenyl)ethanol |
Description: | 1-(3-Nitrophenyl)ethanol (CAS# 5400-78-2) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC(C1=CC(=CC=C1)[N+](=O)[O-])O |
InChI: | InChI=1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3 |
InChI Key: | FRPQAVXDUWMFCK-UHFFFAOYSA-N |
Boiling Point: | 281.3 °C at 760 mmHg |
Density: | 1.263 g/cm3 |
Appearance: | White to off-white powder or crystalline powder |
MDL: | MFCD00053608 |
LogP: | 2.17130 |
Publication Number | Title | Priority Date |
WO-2021021761-A1 | Urea, amide, and substituted heteroaryl compounds for cbl-b inhibition | 20190730 |
WO-2020264420-A1 | Heterocyclic kinase inhibitors and products and uses thereof | 20190628 |
TW-201944993-A | CBL-B inhibitor and use method thereof | 20180126 |
WO-2019148005-A1 | Inhibitors of cbl-b and methods of use thereof | 20180126 |
EP-3743063-A1 | Inhibitors of cbl-b and methods of use thereof | 20180126 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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