| CAS Number | 1167418-12-3 |
| Catalog Number | AG00HDQZ(AGN-PC-0WNMO8) |
| Chemical Name | {1-[(tert-butoxy)carbonyl]-1H-indazol-5-yl}boronic acid |
| IUPAC Name | [1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-5-yl]boronic acid |
| InChI | InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-10-5-4-9(13(17)18)6-8(10)7-14-15/h4-7,17-18H,1-3H3 |
| InChI Key | UPCYSNYVECFOJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18837754 |
| Molecular Formula | C12H15BN2O4 |
| Molecular Weight | 262.0695 |
| SMILES | OB(c1ccc2c(c1)cnn2C(=O)OC(C)(C)C)O |
| Synonyms | 1-BOC-Indazole-5-boronic acid,
1167418-12-3,
[1-(TERT-BUTOXYCARBONYL)-1H-INDAZOL-5-YL]BORONIC ACID,
(1-(tert-Butoxycarbonyl)-1H-indazol-5-yl)boronic acid,
n-boc-indazole-5-boronic acid,
SCHEMBL2483647,
UPCYSNYVECFOJZ-UHFFFAOYSA-N,
AKOS025293761,
ZINC169997057,
OR360725,
CS-0056140,
1-(tert-butoxycarbonyl)-1h-indazol-5-ylboronic acid,
{1-[(tert-butoxy)carbonyl]-1H-indazol-5-yl}boronic acid,
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| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.072g/mol |
| Monoisotopic Mass | 262.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number