| CAS Number | 913836-13-2 |
| Catalog Number | AG006BHL(AGN-PC-0WA9LH) |
| Chemical Name | 4-(N-Cyclohexyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid |
| IUPAC Name | [4-[cyclohexyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C20H26BNO5S/c1-27-19-11-7-16(8-12-19)15-22(18-5-3-2-4-6-18)28(25,26)20-13-9-17(10-14-20)21(23)24/h7-14,18,23-24H,2-6,15H2,1H3 |
| InChI Key | NRLGPZDODJYKCR-UHFFFAOYSA-N |
| MDL Number | MFCD09027240 |
| Molecular Formula | C20H26BNO5S |
| Molecular Weight | 403.3001 |
| SMILES | COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)C1CCCCC1 |
| Synonyms | 913836-13-2,
4-(N-Cyclohexyl-N-(4-methoxybenzyl)sulfamoyl)phenylboronic acid,
(4-(N-Cyclohexyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid,
(4-(N-Cyclohexyl-N-(4-methoxybenzyl)-sulfamoyl)phenyl)boronic acid,
ACMC-209rax,
C20H26BNO5S,
SCHEMBL15798156,
CTK5G9470,
DTXSID50661241,
ANW-39655,
AKOS015840888,
ZINC169745066,
RTR-028704,
OR360059,
AX8231487,
TR-028704,
V9047,
B-5556,
I01-11433,
(4-{Cyclohexyl[(4-methoxyphenyl)methyl]sulfamoyl}phenyl)boronic acid,
4-(N-CYCLOHEXYL-N- PHENYLBORONICACID,
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| Complexity | 560 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 403.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 403.3g/mol |
| Monoisotopic Mass | 403.162g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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UN Code
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Certificate of Analysis
Lot Number