Ethyl 2-Bromo-5-(trifluoromethyl)cinnamate - CAS 1345484-78-7
Catalog: |
BB065834 |
Product Name: |
Ethyl 2-Bromo-5-(trifluoromethyl)cinnamate |
CAS: |
1345484-78-7 |
Synonyms: |
Ethyl 2-Bromo-5-(trifluoromethyl)cinnamate; ethyl (E)-3-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-enoate; ETHYL (2E)-3-[2-BROMO-5-(TRIFLUOROMETHYL)PHENYL]PROP-2-ENOATE |
IUPAC Name: | ethyl (E)-3-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-enoate |
Description: | Ethyl 2-Bromo-5-(trifluoromethyl)cinnamate |
Molecular Weight: | 323.11 |
Molecular Formula: | C12H10BrF3O2 |
Canonical SMILES: | CCOC(=O)C=CC1=C(C=CC(=C1)C(F)(F)F)Br |
InChI: | InChI=1S/C12H10BrF3O2/c1-2-18-11(17)6-3-8-7-9(12(14,15)16)4-5-10(8)13/h3-7H,2H2,1H3/b6-3+ |
InChI Key: | NNMQWHUPGNKHNG-ZZXKWVIFSA-N |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 321.98163 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.98163 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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