| CAS Number | 1029439-58-4 |
| Catalog Number | AG01FRIF(AGN-PC-3H5PN4) |
| Chemical Name | B-[4-[(2,3-dihydro-1H-indol-1-yl)methyl]phenyl]-Boronic acid |
| IUPAC Name | [4-(2,3-dihydroindol-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C15H16BNO2/c18-16(19)14-7-5-12(6-8-14)11-17-10-9-13-3-1-2-4-15(13)17/h1-8,18-19H,9-11H2 |
| InChI Key | LSZWCDZNPPOBOX-UHFFFAOYSA-N |
| MDL Number | MFCD16413666 |
| Molecular Formula | C15H16BNO2 |
| Molecular Weight | 253.1040 |
| SMILES | N1(CCC2=CC=CC=C12)CC1=CC=C(C=C1)B(O)O |
| Synonyms | SCHEMBL257936,
AKOS010796048,
AS-70960,
{4-[(2,3-dihydro-1H-indol-1-yl)methyl]phenyl}boronic acid,
1029439-58-4,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.127409g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.11g/mol |
| Monoisotopic Mass | 253.127409g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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