| CAS Number | 913835-89-9 |
| Catalog Number | AG006NKB(AGN-PC-0WA9VJ) |
| Chemical Name | 4-[N-Cyclopropyl-N-(4-methoxybenzyl)sulfamoyl]phenylboronic acid |
| IUPAC Name | [4-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid |
| InChI | InChI=1S/C17H20BNO5S/c1-24-16-8-2-13(3-9-16)12-19(15-6-7-15)25(22,23)17-10-4-14(5-11-17)18(20)21/h2-5,8-11,15,20-21H,6-7,12H2,1H3 |
| InChI Key | BMBKRBBFPKRYSF-UHFFFAOYSA-N |
| MDL Number | MFCD09027226 |
| Molecular Formula | C17H20BNO5S |
| Molecular Weight | 361.2204 |
| SMILES | COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)C1CC1 |
| Synonyms | 913835-89-9,
4-[N-Cyclopropyl-N-(4-methoxybenzyl)sulfamoyl]phenylboronic acid,
(4-(N-cyclopropyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid,
ACMC-209rab,
CTK5G9461,
DTXSID80661239,
ANW-39633,
AKOS015840783,
ZINC169745440,
RTR-028682,
OR361084,
TR-028682,
V9033,
B-4286,
I01-11427,
4-[Cyclopropyl(4-methoxybenzyl)sulfamoyl]benzeneboronic acid,
N-Cyclopropyl-N-(4-methoxybenzyl) 4-boronobenzenesulfonamide,
(4-{Cyclopropyl[(4-methoxyphenyl)methyl]sulfamoyl}phenyl)boronic acid,
C17H20BNO5S,
ACN-041630,
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| Complexity | 518 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.219g/mol |
| Monoisotopic Mass | 361.116g/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