1-(4-Nitrophenyl)-2-propanone - CAS 5332-96-7
Catalog: |
BB028146 |
Product Name: |
1-(4-Nitrophenyl)-2-propanone |
CAS: |
5332-96-7 |
Synonyms: |
1-(4-nitrophenyl)-2-propanone; 1-(4-nitrophenyl)propan-2-one |
IUPAC Name: | 1-(4-nitrophenyl)propan-2-one |
Description: | 1-(4-Nitrophenyl)-2-propanone (CAS# 5332-96-7) is a useful research chemical compound. |
Molecular Weight: | 179.17 |
Molecular Formula: | C9H9NO3 |
Canonical SMILES: | CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3 |
InChI Key: | GEWWCWZGHNIUBW-UHFFFAOYSA-N |
Boiling Point: | 307.5 °C at 760 mmHg |
Density: | 1.212 g/cm3 |
MDL: | MFCD00051518 |
LogP: | 2.24950 |
Publication Number | Title | Priority Date |
CN-111440188-A | Preparation method of Relugol (Relugolix) key intermediate | 20200410 |
CN-110590529-A | Preparation method of 1-aryl-2-acetone compound | 20190925 |
WO-2021018105-A1 | Substituted pyrimidinedione compounds and uses thereof | 20190729 |
WO-2020204733-A1 | A solvent drying composition and processes therfor | 20190403 |
TW-202104480-A | A solvent drying composition and processes therfor | 20190403 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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