| CAS Number | 1704096-55-8 |
| Catalog Number | AG00ARDM(AGN-PC-0WCTIR) |
| Chemical Name | [4-(cyclopropylsulfamoyl)-3-fluorophenyl]boronic acid |
| IUPAC Name | [4-(cyclopropylsulfamoyl)-3-fluorophenyl]boronic acid |
| InChI | InChI=1S/C9H11BFNO4S/c11-8-5-6(10(13)14)1-4-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12-14H,2-3H2 |
| InChI Key | VGJJBKGUWRZZLA-UHFFFAOYSA-N |
| MDL Number | MFCD28805607 |
| Molecular Formula | C9H11BFNO4S |
| Molecular Weight | 259.0623 |
| SMILES | C1(CC1)NS(=O)(=O)C1=C(C=C(C=C1)B(O)O)F |
| Synonyms | (4-(N-cyclopropylsulfamoyl)-3-fluorophenyl)boronic acid,
1704096-55-8,
MFCD28805607,
ZINC230551979,
AM88174,
AS-55333,
[4-(cyclopropylsulfamoyl)-3-fluorophenyl]boronic acid,
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.058g/mol |
| Monoisotopic Mass | 259.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number