| CAS Number | 1072945-65-3 |
| Catalog Number | AG007WOR(AGN-PC-0WA7K1) |
| Chemical Name | 3-(Butylsulfonamido)phenylboronic acid |
| IUPAC Name | [3-(butylsulfonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C10H16BNO4S/c1-2-3-7-17(15,16)12-10-6-4-5-9(8-10)11(13)14/h4-6,8,12-14H,2-3,7H2,1H3 |
| InChI Key | UBLUCZZOOILMOJ-UHFFFAOYSA-N |
| MDL Number | MFCD10699611 |
| Molecular Formula | C10H16BNO4S |
| Molecular Weight | 257.1143 |
| SMILES | CCCCS(=O)(=O)Nc1cccc(c1)B(O)O |
| Synonyms | 3-(Butylsulfonamido)phenylboronic acid,
1072945-65-3,
(3-(Butylsulfonamido)phenyl)boronic acid,
ACMC-2098qc,
CTK4A5196,
DTXSID60674468,
ANW-15586,
AKOS015839677,
ZINC169903918,
RTR-001516,
BBV-82744438,
OR360856,
TR-001516,
X1527,
A-4509,
{3-[(Butane-1-sulfonyl)amino]phenyl}boronic acid,
I04-2223,
3-[(Butylsulfonyl)amino]phenylboronic acid, AldrichCPR,
C10H16BNO4S,
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| Complexity | 315 |
| 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