| CAS Number | 1312802-61-1 |
| Catalog Number | AG01FQ0X(AGN-PC-3H5P7L) |
| Chemical Name | (2-(indolin-1-ylmethyl)phenyl)boronic acid |
| IUPAC Name | [2-(2,3-dihydroindol-1-ylmethyl)phenyl]boronic acid |
| InChI | InChI=1S/C15H16BNO2/c18-16(19)14-7-3-1-6-13(14)11-17-10-9-12-5-2-4-8-15(12)17/h1-8,18-19H,9-11H2 |
| InChI Key | KBUHZYQHNPZPHS-UHFFFAOYSA-N |
| MDL Number | MFCD16413665 |
| Molecular Formula | C15H16BNO2 |
| Molecular Weight | 253.1040 |
| SMILES | OB(O)C1=C(CN2C3=CC=CC=C3CC2)C=CC=C1 |
| Synonyms | SCHEMBL15331838,
AKOS010796047,
AS-65318,
{2-[(2,3-dihydro-1H-indol-1-yl)methyl]phenyl}boronic acid,
1312802-61-1,
|
| Complexity | 300 |
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number