5-Acetamido-2-aminophenylboronic acid - CAS 136237-73-5
Catalog: |
BB054816 |
Product Name: |
5-Acetamido-2-aminophenylboronic acid |
CAS: |
136237-73-5 |
Synonyms: |
5-ACETAMIDO-2-AMINOPHENYLBORONIC ACID; (5-acetamido-2-aminophenyl)boronic acid; 5-ACETAMIDO-2-AMINOPHENYLBORONICACID |
IUPAC Name: | (5-acetamido-2-aminophenyl)boronic acid |
Description: | 5-Acetamido-2-aminophenylboronic acid |
Molecular Weight: | 194 |
Molecular Formula: | C8H11BN2O3 |
Canonical SMILES: | B(C1=C(C=CC(=C1)NC(=O)C)N)(O)O |
InChI: | InChI=1S/C8H11BN2O3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4,13-14H,10H2,1H3,(H,11,12) |
InChI Key: | SFHNMRIMBLCZGZ-UHFFFAOYSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0862724 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0862724 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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