| CAS Number | 1175560-85-6 |
| Catalog Number | AG007QXB(AGN-PC-0WA9IC) |
| Chemical Name | 4-(Cyclopropylmethylsulfonyl)phenylboronic acid |
| IUPAC Name | [4-(cyclopropylmethylsulfonyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H13BO4S/c12-11(13)9-3-5-10(6-4-9)16(14,15)7-8-1-2-8/h3-6,8,12-13H,1-2,7H2 |
| InChI Key | DZBUTJPNUVQODY-UHFFFAOYSA-N |
| MDL Number | MFCD12546552 |
| Molecular Formula | C10H13BO4S |
| Molecular Weight | 240.0838 |
| SMILES | OB(O)C1=CC=C(C=C1)S(=O)(=O)CC1CC1 |
| Synonyms | 1175560-85-6,
4-(CYCLOPROPYLMETHYLSULFONYL)PHENYLBORONIC ACID,
(4-((Cyclopropylmethyl)sulfonyl)phenyl)boronic acid,
ACMC-2099ug,
C10H13BO4S,
CTK4B0327,
DTXSID40675231,
DZBUTJPNUVQODY-UHFFFAOYSA-N,
ANW-17030,
MFCD12546552,
AKOS015840796,
ZINC169904954,
OR360475,
AX8226964,
TR-034175,
X1649,
A-5228,
[4-(Cyclopropylmethanesulfonyl)phenyl]boronic acid,
I04-2328,
(4-((Cyclopropylmethyl)sulfonyl)-phenyl)boronic acid,
(4-((Cyclopropylmethyl)sulfonyl)phenyl)boronicacid,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.08g/mol |
| Monoisotopic Mass | 240.063g/mol |
| Rotatable Bond Count | 4 |
| 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