3-Bromo-5-[4-(ethoxycarbonyl)-3-fluorophenyl]phenol - CAS 1261977-17-6
Catalog: |
BB055349 |
Product Name: |
3-Bromo-5-[4-(ethoxycarbonyl)-3-fluorophenyl]phenol |
CAS: |
1261977-17-6 |
Synonyms: |
3-BROMO-5-[4-(ETHOXYCARBONYL)-3-FLUOROPHENYL]PHENOL; ethyl 4-(3-bromo-5-hydroxyphenyl)-2-fluorobenzoate; Ethyl 3'-bromo-3-fluoro-5'-hydroxy[1,1'-biphenyl]-4-carboxylate |
IUPAC Name: | ethyl 4-(3-bromo-5-hydroxyphenyl)-2-fluorobenzoate |
Description: | 3-Bromo-5-[4-(ethoxycarbonyl)-3-fluorophenyl]phenol |
Molecular Weight: | 339.16 |
Molecular Formula: | C15H12BrFO3 |
Canonical SMILES: | CCOC(=O)C1=C(C=C(C=C1)C2=CC(=CC(=C2)Br)O)F |
InChI: | InChI=1S/C15H12BrFO3/c1-2-20-15(19)13-4-3-9(7-14(13)17)10-5-11(16)8-12(18)6-10/h3-8,18H,2H2,1H3 |
InChI Key: | NHIBDYPEPVVATO-UHFFFAOYSA-N |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.99538 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.99538 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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