| CAS Number | 1286777-08-9 |
| Catalog Number | AG00HRUB(AGN-PC-0WNQ3G) |
| Chemical Name | 6-Cyano-1H-indole-2-boronic acid |
| IUPAC Name | (6-cyano-1H-indol-2-yl)boronic acid |
| InChI | InChI=1S/C9H7BN2O2/c11-5-6-1-2-7-4-9(10(13)14)12-8(7)3-6/h1-4,12-14H |
| InChI Key | NGZRRRRKSFYROR-UHFFFAOYSA-N |
| MDL Number | MFCD28369563 |
| Molecular Formula | C9H7BN2O2 |
| Molecular Weight | 185.9751 |
| SMILES | N#Cc1ccc2c(c1)[nH]c(c2)B(O)O |
| Synonyms | 6-Cyano-1H-indole-2-boronic acid,
1286777-08-9,
Boronic acid, B-(6-cyano-1H-indol-2-yl)-,
ZINC217045101,
DB-100820,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.060058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.98g/mol |
| Monoisotopic Mass | 186.060058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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