4-Bromo-2-fluoro-N-isopropylbenzamide - CAS 877383-76-1
Catalog: |
BB072094 |
Product Name: |
4-Bromo-2-fluoro-N-isopropylbenzamide |
CAS: |
877383-76-1 |
Synonyms: |
4-Bromo-2-fluoro-N-isopropylbenzamide; 4-bromo-2-fluoro-N-propan-2-ylbenzamide |
IUPAC Name: | 4-bromo-2-fluoro-N-propan-2-ylbenzamide |
Description: | 4-Bromo-2-fluoro-N-isopropylbenzamide |
Molecular Weight: | 260.1 |
Molecular Formula: | C10H11BrFNO |
Canonical SMILES: | CC(C)NC(=O)C1=C(C=C(C=C1)Br)F |
InChI: | InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3,(H,13,14) |
InChI Key: | OVZFSVKPKOLFRT-UHFFFAOYSA-N |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0008 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0008 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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