| CAS Number | 1072945-66-4 |
| Catalog Number | AG003K6Q(AGN-PC-0WA9HI) |
| Chemical Name | 4-(Butylsulfonamido)phenylboronic acid |
| IUPAC Name | [4-(butylsulfonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C10H16BNO4S/c1-2-3-8-17(15,16)12-10-6-4-9(5-7-10)11(13)14/h4-7,12-14H,2-3,8H2,1H3 |
| InChI Key | GFVQWMXOLYHARX-UHFFFAOYSA-N |
| MDL Number | MFCD10699612 |
| Molecular Formula | C10H16BNO4S |
| Molecular Weight | 257.1143 |
| SMILES | CCCCS(=O)(=O)Nc1ccc(cc1)B(O)O |
| Synonyms | 4-(Butylsulfonamido)phenylboronic acid,
1072945-66-4,
(4-(Butylsulfonamido)phenyl)boronic acid,
ACMC-2098qd,
CTK4A5197,
DTXSID30674490,
ANW-15587,
AKOS015839680,
ZINC169903953,
RTR-001517,
BBV-85509375,
OR360857,
TR-001517,
X1528,
A-4510,
{4-[(Butane-1-sulfonyl)amino]phenyl}boronic acid,
I04-2222,
C10H16BNO4S,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.111g/mol |
| Monoisotopic Mass | 257.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number