| CAS Number | 1016811-41-8 |
| Catalog Number | AG00056S(AGN-PC-0WRAE3) |
| Chemical Name | Propyl 4-bromo-2-fluorobenzamide |
| IUPAC Name | 4-bromo-2-fluoro-N-propylbenzamide |
| InChI | InChI=1S/C10H11BrFNO/c1-2-5-13-10(14)8-4-3-7(11)6-9(8)12/h3-4,6H,2,5H2,1H3,(H,13,14) |
| InChI Key | NRCMVNLNCMBHAW-UHFFFAOYSA-N |
| MDL Number | MFCD09935765 |
| Molecular Formula | C10H11BrFNO |
| Molecular Weight | 260.1028 |
| SMILES | CCCNC(=O)c1ccc(cc1F)Br |
| Synonyms | PROPYL 4-BROMO-2-FLUOROBENZAMIDE,
1016811-41-8,
4-Bromo-2-fluoro-N-propylbenzamide,
ACMC-2097wg,
SCHEMBL582871,
CTK4A0096,
DTXSID90640813,
NRCMVNLNCMBHAW-UHFFFAOYSA-N,
ANW-14510,
MFCD09935765,
ZINC19471514,
AKOS000177783,
Benzamide, 4-bromo-2-fluoro-N-propyl-,
AJ-73592,
TR-033811,
Z6379,
A-4119,
I01-10915,
C10H11BrFNO,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.106g/mol |
| Monoisotopic Mass | 259.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number