| CAS Number | 1217501-02-4 |
| Catalog Number | AG0015RM(AGN-PC-07XUHW) |
| Chemical Name | Boronic acid, B-[4-(butylsulfonyl)phenyl]- |
| IUPAC Name | (4-butylsulfonylphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO4S/c1-2-3-8-16(14,15)10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3 |
| InChI Key | YGBYIKCBEZABIT-UHFFFAOYSA-N |
| MDL Number | MFCD12546549 |
| Molecular Formula | C10H15BO4S |
| Molecular Weight | 242.0997 |
| SMILES | CCCCS(=O)(=O)C1=CC=C(C=C1)B(O)O |
| Synonyms | 1217501-02-4,
(4-(Butylsulfonyl)phenyl)boronic acid,
4-(BUTYLSULFONYL)PHENYLBORONIC ACID,
ACMC-209agd,
CTK4B2672,
DTXSID10675228,
ANW-17819,
MFCD12546549,
AKOS015839674,
ZINC169904941,
OR360504,
[4-(Butane-1-sulfonyl)phenyl]boronic acid,
AX8236066,
TR-034692,
Boronic acid, B-[4-(butylsulfonyl)phenyl]-,
X1674,
A-5545,
I04-2221,
C10H15BO4S,
(4-(Butylsulfonyl)phenyl)boronicacid,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.096g/mol |
| Monoisotopic Mass | 242.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83A^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