N-(4-Nitrophenyl)propionamide - CAS 4850-93-5
Catalog: |
BB026545 |
Product Name: |
N-(4-Nitrophenyl)propionamide |
CAS: |
4850-93-5 |
Synonyms: |
N-(4-nitrophenyl)propanamide; N-(4-nitrophenyl)propanamide |
IUPAC Name: | N-(4-nitrophenyl)propanamide |
Description: | N-(4-Nitrophenyl)propionamide (CAS# 4850-93-5) is a useful research chemical. |
Molecular Weight: | 194.19 |
Molecular Formula: | C9H10N2O3 |
Canonical SMILES: | CCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10N2O3/c1-2-9(12)10-7-3-5-8(6-4-7)11(13)14/h3-6H,2H2,1H3,(H,10,12) |
InChI Key: | XHHRFANWCYGWQW-UHFFFAOYSA-N |
Boiling Point: | 411.7 ℃ at 760 mmHg |
Density: | 1.287 g/cm3 |
Appearance: | Pale yellow powder |
LogP: | 2.53950 |
Publication Number | Title | Priority Date |
WO-2017024037-A1 | Charged ion channel blockers and methods for use | 20150803 |
AU-2016224969-A1 | Pyrimidine derivatives as kinase inhibitors and their therapeutical applications | 20150227 |
AU-2016224969-B2 | Pyrimidine derivatives as kinase inhibitors and their therapeutical applications | 20150227 |
CA-2977810-A1 | Pyrimidine derivatives as kinase inhibitors and their therapeutical applications | 20150227 |
EP-3261638-A1 | Pyrimidine derivatives as kinase inhibitors and their therapeutical applications | 20150227 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.06914219 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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