4-Bromo-N,N-diethyl-2-fluorobenzamide - CAS 682778-07-0
Catalog: |
BB072062 |
Product Name: |
4-Bromo-N,N-diethyl-2-fluorobenzamide |
CAS: |
682778-07-0 |
Synonyms: |
4-Bromo-N,N-diethyl-2-fluorobenzamide; 4-bromo-N,N-diethyl-2-fluoro-benzamide |
IUPAC Name: | 4-bromo-N,N-diethyl-2-fluorobenzamide |
Description: | 4-Bromo-N,N-diethyl-2-fluorobenzamide |
Molecular Weight: | 274.13 |
Molecular Formula: | C11H13BrFNO |
Canonical SMILES: | CCN(CC)C(=O)C1=C(C=C(C=C1)Br)F |
InChI: | InChI=1S/C11H13BrFNO/c1-3-14(4-2)11(15)9-6-5-8(12)7-10(9)13/h5-7H,3-4H2,1-2H3 |
InChI Key: | ALFCPMWTMOYQSU-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.01645 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.01645 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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