N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide - CAS 87310-69-8
Catalog: |
BB069129 |
Product Name: |
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide |
CAS: |
87310-69-8 |
Synonyms: |
N-(4-Cyano-3-trifluoromethyl-phenyl]-2-oxo-propionamide |
IUPAC Name: | N-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide |
Description: | N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-oxopropanamide (cas# 87310-69-8) is a compound useful in organic synthesis. |
Molecular Weight: | 256.18 |
Molecular Formula: | C11H7F3N2O2 |
Canonical SMILES: | CC(=O)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F |
InChI: | InChI=1S/C11H7F3N2O2/c1-6(17)10(18)16-8-3-2-7(5-15)9(4-8)11(12,13)14/h2-4H,1H3,(H,16,18) |
InChI Key: | KSMBAOCZDHBYCQ-UHFFFAOYSA-N |
Melting Point: | 143-1460C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow Solid |
Storage: | Refrigerator |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.04596196 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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