(2E)-3-(4-Bromo-2-fluorophenyl)prop-2-enamide - CAS 568595-13-1
Catalog: |
BB071645 |
Product Name: |
(2E)-3-(4-Bromo-2-fluorophenyl)prop-2-enamide |
CAS: |
568595-13-1 |
Synonyms: |
(2E)-3-(4-Bromo-2-fluorophenyl)prop-2-enamide; (E)-3-(4-bromo-2-fluorophenyl)prop-2-enamide; 2-Propenamide, 3-(4-bromo-2-fluorophenyl)-, (2E)- |
IUPAC Name: | (E)-3-(4-bromo-2-fluorophenyl)prop-2-enamide |
Description: | (2E)-3-(4-Bromo-2-fluorophenyl)prop-2-enamide |
Molecular Weight: | 244.06 |
Molecular Formula: | C9H7BrFNO |
Canonical SMILES: | C1=CC(=C(C=C1Br)F)C=CC(=O)N |
InChI: | InChI=1S/C9H7BrFNO/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H2,12,13)/b4-2+ |
InChI Key: | SCDLSFGVHUZTAE-DUXPYHPUSA-N |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 242.9695 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.9695 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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