| CAS Number | 911111-80-3 |
| Catalog Number | AG00IGHM(AGN-PC-0WAZ4I) |
| Chemical Name | 5-Bromo-N-tert-butylpyridine-3-sulfonamide |
| IUPAC Name | 5-bromo-N-tert-butylpyridine-3-sulfonamide |
| InChI | InChI=1S/C9H13BrN2O2S/c1-9(2,3)12-15(13,14)8-4-7(10)5-11-6-8/h4-6,12H,1-3H3 |
| InChI Key | QODSUIGCUNEDQA-UHFFFAOYSA-N |
| MDL Number | MFCD16103444 |
| Molecular Formula | C9H13BrN2O2S |
| Molecular Weight | 293.1807 |
| SMILES | [Br]C1(=CN=CC(=C1)S(=O)(=O)NC(C)(C)C) |
| Synonyms | 5-Bromo-N-tert-butylpyridine-3-sulfonamide,
911111-80-3,
SCHEMBL1348246,
QODSUIGCUNEDQA-UHFFFAOYSA-N,
ZINC44243360,
AKOS011067192,
KS-0000246O,
DA-18710,
5-bromo-n-tert-butyl pyridine-3-sulfonamide,
FT-0727128,
5-Bromo-pyridine-3-sulfonic acid tert-butylamide,
3-Pyridinesulfonamide, 5-bromo-N-(1,1-dimethylethyl)-,
CS-4195,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.179g/mol |
| Monoisotopic Mass | 291.988g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number