| CAS Number | 1611473-73-4 |
| Catalog Number | AG01FNT8(AGN-PC-3H4BII) |
| Chemical Name | (4-(hexylcarbamoyl)phenyl)boronic acid |
| IUPAC Name | [4-(hexylcarbamoyl)phenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO3/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)14(17)18/h6-9,17-18H,2-5,10H2,1H3,(H,15,16) |
| InChI Key | NBDNMUSZDAHAIE-UHFFFAOYSA-N |
| MDL Number | MFCD32206242 |
| Molecular Formula | C13H20BNO3 |
| Molecular Weight | 249.1138 |
| SMILES | OB(O)C1=CC=C(C(NCCCCCC)=O)C=C1 |
| Synonyms | SCHEMBL15741765,
NBDNMUSZDAHAIE-UHFFFAOYSA-N,
4-(Hexylcarbamoyl)phenylboronic acid,
[4-(hexylcarbamoyl)phenyl]boronic acid,
AS-63525,
1611473-73-4,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.153624g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.12g/mol |
| Monoisotopic Mass | 249.153624g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number