| CAS Number | 549490-15-5 |
| Catalog Number | AG00I9T3(AGN-PC-0WOIP1) |
| Chemical Name | N-(4-Bromo-2-fluorophenyl)methanesulfonamide |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)methanesulfonamide |
| InChI | InChI=1S/C7H7BrFNO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3 |
| InChI Key | WKPHSMWPSVEOFI-UHFFFAOYSA-N |
| MDL Number | MFCD26792477 |
| Molecular Formula | C7H7BrFNO2S |
| Molecular Weight | 268.1034 |
| SMILES | CS(=O)(NC1=CC=C(Br)C=C1F)=O |
| Synonyms | N-(4-bromo-2-fluorophenyl)methanesulfonamide,
549490-15-5,
AC1LIK4P,
SCHEMBL2350815,
WKPHSMWPSVEOFI-UHFFFAOYSA-N,
ZINC562753,
STL169988,
AKOS000185175,
MCULE-5229994244,
ST45145363,
(4-bromo-2-fluorophenyl)(methylsulfonyl)amine,
N-(4-Bromo-2-fluoro-phenyl)-methanesulfonamide,
CID956286,
N-(4-bromo-2-fluoro-phenyl)methanesulfonamide,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.1g/mol |
| Monoisotopic Mass | 266.936g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number