4-(3-Bromo-5-fluorobenzoyl)morpholine - CAS 1329457-16-0
Catalog: |
BB071751 |
Product Name: |
4-(3-Bromo-5-fluorobenzoyl)morpholine |
CAS: |
1329457-16-0 |
Synonyms: |
4-(3-Bromo-5-fluorobenzoyl)morpholine; (3-bromo-5-fluorophenyl)-morpholin-4-ylmethanone; (3-Bromo-5-fluorophenyl)(morpholino)methanone |
IUPAC Name: | (3-bromo-5-fluorophenyl)-morpholin-4-ylmethanone |
Description: | 4-(3-Bromo-5-fluorobenzoyl)morpholine |
Molecular Weight: | 288.11 |
Molecular Formula: | C11H11BrFNO2 |
Canonical SMILES: | C1COCCN1C(=O)C2=CC(=CC(=C2)Br)F |
InChI: | InChI=1S/C11H11BrFNO2/c12-9-5-8(6-10(13)7-9)11(15)14-1-3-16-4-2-14/h5-7H,1-4H2 |
InChI Key: | GKWMVMQVKKECNY-UHFFFAOYSA-N |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.99572 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.99572 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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