| CAS Number | 1704096-02-5 |
| Catalog Number | AG00ARCZ(AGN-PC-0WCTMO) |
| Chemical Name | (4-(2-(cyclopentylamino)ethoxy)-3-fluorophenyl)boronic acid |
| IUPAC Name | [4-[2-(cyclopentylamino)ethoxy]-3-fluorophenyl]boronic acid |
| InChI | InChI=1S/C13H19BFNO3/c15-12-9-10(14(17)18)5-6-13(12)19-8-7-16-11-3-1-2-4-11/h5-6,9,11,16-18H,1-4,7-8H2 |
| InChI Key | NOTUDRJVGWLSDS-UHFFFAOYSA-N |
| MDL Number | MFCD28805593 |
| Molecular Formula | C13H19BFNO3 |
| Molecular Weight | 267.1043 |
| SMILES | FC1=CC(B(O)O)=CC=C1OCCNC2CCCC2 |
| Synonyms | (4-(2-(cyclopentylamino)ethoxy)-3-fluorophenyl)boronic acid,
1704096-02-5,
MFCD28805593,
ZINC230551534,
AM88198,
AS-49587,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.107g/mol |
| Monoisotopic Mass | 267.144g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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