1-[2-Bromoethenyl]-4-(trifluoromethyl)benzene E/Z-mixture - CAS 1059140-27-0
Catalog: |
BB071116 |
Product Name: |
1-[2-Bromoethenyl]-4-(trifluoromethyl)benzene E/Z-mixture |
CAS: |
1059140-27-0 |
Synonyms: |
1-[(E)-2-BROMOVINYL]-4-(TRIFLUOROMETHYL)BENZENE; 1-[2-Bromoethenyl]-4-(trifluoromethyl)benzene E/Z-mixture; 1-(2-Bromovinyl)-4-(trifluoromethyl)benzene; 1-[(E)-2-bromoethenyl]-4-(trifluoromethyl)benzene; 1-[(1E)-2-bromoethenyl]-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-[(E)-2-bromoethenyl]-4-(trifluoromethyl)benzene |
Description: | 1-[2-Bromoethenyl]-4-(trifluoromethyl)benzene E/Z-mixture |
Molecular Weight: | 251.04 |
Molecular Formula: | C9H6BrF3 |
Canonical SMILES: | C1=CC(=CC=C1C=CBr)C(F)(F)F |
InChI: | InChI=1S/C9H6BrF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-6H/b6-5+ |
InChI Key: | GGXGMQKZNYMKEH-AATRIKPKSA-N |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 249.9605 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.9605 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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