| CAS Number | 1256358-60-7 |
| Catalog Number | AG000O5M(AGN-PC-0WA9OI) |
| Chemical Name | BORONIC ACID, B-[4-(4-THIOMORPHOLINYLMETHYL)PHENYL]- |
| IUPAC Name | [4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C11H16BNO2S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2 |
| InChI Key | VDMPAGMAGZPHSO-UHFFFAOYSA-N |
| MDL Number | MFCD14687175 |
| Molecular Formula | C11H16BNO2S |
| Molecular Weight | 237.1262 |
| SMILES | C(c1ccc(cc1)B(O)O)N1CCSCC1 |
| Synonyms | 1256358-60-7,
4-(THIOMORPHOLIN-4-YLMETHYL)PHENYLBORONIC ACID,
(4-(Thiomorpholinomethyl)phenyl)boronic acid,
{4-[(Thiomorpholin-4-yl)methyl]phenyl}boronic acid,
ACMC-209azl,
CTK4B4670,
DTXSID20681335,
ANW-18511,
MFCD14687175,
AKOS010796017,
ZINC169926289,
AS-55231,
TR-035333,
X1983,
A-9174,
[4-(thiomorpholin-4-ylmethyl)phenyl]boronic acid,
I04-3002,
Boronic acid, B-[4-(4-thiomorpholinylmethyl)phenyl]-,
C11H16BNO2S,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.124g/mol |
| Monoisotopic Mass | 237.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69A^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