| CAS Number | 1704081-55-9 |
| Catalog Number | AG00AR91(AGN-PC-0WCSAC) |
| Chemical Name | (3-(Cyclopropylcarbamoyl)-4-fluorophenyl)boronic acid |
| IUPAC Name | [3-(cyclopropylcarbamoyl)-4-fluorophenyl]boronic acid |
| InChI | InChI=1S/C10H11BFNO3/c12-9-4-1-6(11(15)16)5-8(9)10(14)13-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H,13,14) |
| InChI Key | RFPZSWXIIAPJOC-UHFFFAOYSA-N |
| MDL Number | MFCD28400436 |
| Molecular Formula | C10H11BFNO3 |
| Molecular Weight | 223.0086 |
| SMILES | FC1=CC=C(B(O)O)C=C1C(NC2CC2)=O |
| Synonyms | (3-(cyclopropylcarbamoyl)-4-fluorophenyl)boronic acid,
1704081-55-9,
[3-(cyclopropylcarbamoyl)-4-fluorophenyl]boronic acid,
MFCD28400436,
AKOS025286854,
ZINC230548815,
AM88341,
AS-55322,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.01g/mol |
| Monoisotopic Mass | 223.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number