2-[(5-Bromo-2-fluorophenyl)amino]propanamide - CAS 1218082-92-8
Catalog: |
BB071570 |
Product Name: |
2-[(5-Bromo-2-fluorophenyl)amino]propanamide |
CAS: |
1218082-92-8 |
Synonyms: |
2-((5-Bromo-2-fluorophenyl)amino)propanamide |
IUPAC Name: | 2-(5-bromo-2-fluoroanilino)propanamide |
Molecular Weight: | 261.09 |
Molecular Formula: | C9H10BrFN2O |
Canonical SMILES: | CC(C(=O)N)NC1=C(C=CC(=C1)Br)F |
InChI: | InChI=1S/C9H10BrFN2O/c1-5(9(12)14)13-8-4-6(10)2-3-7(8)11/h2-5,13H,1H3,(H2,12,14) |
InChI Key: | XKDOFYPYNREGTQ-UHFFFAOYSA-N |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.99605 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.99605 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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