3-[(Isopropoxycarbonyl)amino]phenylboronic acid - CAS 1638329-69-7
Catalog: |
BB060506 |
Product Name: |
3-[(Isopropoxycarbonyl)amino]phenylboronic acid |
CAS: |
1638329-69-7 |
Synonyms: |
3-[(Isopropoxycarbonyl)amino]phenylboronic acid; (3-((Isopropoxycarbonyl)amino)phenyl)boronic acid; [3-(propan-2-yloxycarbonylamino)phenyl]boronic acid; {3-[(Isopropoxycarbonyl)amino]phenyl}boronic acid |
IUPAC Name: | [3-(propan-2-yloxycarbonylamino)phenyl]boronic acid |
Description: | 3-[(Isopropoxycarbonyl)amino]phenylboronic acid |
Molecular Weight: | 223.03 |
Molecular Formula: | C10H14BNO4 |
Canonical SMILES: | B(C1=CC(=CC=C1)NC(=O)OC(C)C)(O)O |
InChI: | InChI=1S/C10H14BNO4/c1-7(2)16-10(13)12-9-5-3-4-8(6-9)11(14)15/h3-7,14-15H,1-2H3,(H,12,13) |
InChI Key: | BYJOHPRULZBYSR-UHFFFAOYSA-N |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.1015881 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.1015881 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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