| CAS Number | 1330750-25-8 |
| Catalog Number | AG00HSQM(AGN-PC-0WNQWU) |
| Chemical Name | 3-(4-Bromo-2-fluorophenyl)propanamide |
| IUPAC Name | 3-(4-bromo-2-fluorophenyl)propanamide |
| InChI | InChI=1S/C9H9BrFNO/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H2,12,13) |
| InChI Key | HRSPLAGTFZZHPK-UHFFFAOYSA-N |
| MDL Number | MFCD19981537 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | NC(=O)CCc1ccc(cc1F)Br |
| Synonyms | 3-(4-bromo-2-fluorophenyl)propanamide,
1330750-25-8,
MFCD19981537,
ZINC49463655,
CJ-20600,
Z9673,
C9H9BrFNO,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.079g/mol |
| Monoisotopic Mass | 244.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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