(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester - CAS 1065168-05-9
Catalog: |
BB071642 |
Product Name: |
(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester |
CAS: |
1065168-05-9 |
Synonyms: |
(2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester; methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate; (2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoicacid,methylester |
IUPAC Name: | methyl (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate |
Description: | (2E)-3-(5-Bromo-2-fluorophenyl)-2-propenoic acid, methyl ester |
Molecular Weight: | 259.07 |
Molecular Formula: | C10H8BrFO2 |
Canonical SMILES: | COC(=O)C=CC1=C(C=CC(=C1)Br)F |
InChI: | InChI=1S/C10H8BrFO2/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6H,1H3/b5-2+ |
InChI Key: | GYWRMVBEENZIRO-GORDUTHDSA-N |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 257.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.96917 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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