| CAS Number | 1261775-91-0 |
| Catalog Number | AG00HJ4D(AGN-PC-0WNPN5) |
| Chemical Name | 3-(2-Bromo-6-fluorophenyl)propanoic acid |
| IUPAC Name | 3-(2-bromo-6-fluorophenyl)propanoic acid |
| 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 |
| MDL Number | MFCD18391364 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | OC(CCC1=C(Br)C=CC=C1F)=O |
| Synonyms | 3-(2-Bromo-6-fluorophenyl)propanoic acid,
1261775-91-0,
ZINC75902148,
3-(2'-bromo-6'-fluorophenyl)propionic acid,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number