1-Bromo-4,4,4-trifluoro-2-butanone - CAS 787604-81-3
Catalog: |
BB062172 |
Product Name: |
1-Bromo-4,4,4-trifluoro-2-butanone |
CAS: |
787604-81-3 |
Synonyms: |
1-bromo-4,4,4-trifluoro-2-butanone; 1-bromo-4,4,4-trifluorobutan-2-one; 1-bromo-4,4,4-trifluoro-butan-2-one |
IUPAC Name: | 1-bromo-4,4,4-trifluorobutan-2-one |
Molecular Weight: | 204.97 |
Molecular Formula: | C4H4BrF3O |
Canonical SMILES: | C(C(=O)CBr)C(F)(F)F |
InChI: | InChI=1S/C4H4BrF3O/c5-2-3(9)1-4(6,7)8/h1-2H2 |
InChI Key: | HMTYZDFAHVIMFD-UHFFFAOYSA-N |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.93976 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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