| CAS Number | 1033726-21-4 |
| Catalog Number | AG0085RA(AGN-PC-0WP1N3) |
| Chemical Name | 4-(Isopropoxycarbonylamino)phenylboronic acid |
| IUPAC Name | [4-(propan-2-yloxycarbonylamino)phenyl]boronic acid |
| InChI | InChI=1S/C10H14BNO4/c1-7(2)16-10(13)12-9-5-3-8(4-6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13) |
| InChI Key | ZBYUZVPSHMRJPY-UHFFFAOYSA-N |
| MDL Number | MFCD17214243 |
| Molecular Formula | C10H14BNO4 |
| Molecular Weight | 223.0335 |
| SMILES | OB(c1ccc(cc1)NC(=O)OC(C)C)O |
| Synonyms | 4-(ISOPROPOXYCARBONYLAMINO)PHENYLBORONIC ACID,
1033726-21-4,
(4-((Isopropoxycarbonyl)amino)phenyl)boronic acid,
CTK4A2030,
DTXSID00681535,
MFCD17214243,
AKOS015838564,
ZINC169933869,
OR361296,
TR-033879,
X1506,
K-0361,
[4-({[(Propan-2-yl)oxy]carbonyl}amino)phenyl]boronic acid,
C10H14BNO4,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.035g/mol |
| Monoisotopic Mass | 223.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.8A^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