3-(2-Bromo-6-fluorophenyl)propanoic acid - CAS 1261775-91-0
Catalog: |
BB071635 |
Product Name: |
3-(2-Bromo-6-fluorophenyl)propanoic acid |
CAS: |
1261775-91-0 |
Synonyms: |
3-(2-Bromo-6-fluorophenyl)propanoic acid; 3-(2-Bromo-6-fluorophenyl)propanoicacid |
IUPAC Name: | 3-(2-bromo-6-fluorophenyl)propanoic acid |
Description: | 3-(2-Bromo-6-fluorophenyl)propanoic acid |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Br)CCC(=O)O)F |
InChI: | InChI=1S/C9H8BrFO2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,4-5H2,(H,12,13) |
InChI Key: | UTLGOOMCDSXMPN-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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