3-Amino-5-ethoxycarbonylphenylboronic Acid - CAS 510773-04-3
Catalog: |
BB061351 |
Product Name: |
3-Amino-5-ethoxycarbonylphenylboronic Acid |
CAS: |
510773-04-3 |
Synonyms: |
3- Amino- 5- borono-benzoic Acid 1- Ethyl Ester |
IUPAC Name: | (3-amino-5-ethoxycarbonylphenyl)boronic acid |
Description: | 3-Amino-5-ethoxycarbonylphenylboronic acid |
Molecular Weight: | 209.01 |
Molecular Formula: | C9H12BNO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1)N)C(=O)OCC)(O)O |
InChI: | InChI=1S/C9H12BNO4/c1-2-15-9(12)6-3-7(10(13)14)5-8(11)4-6/h3-5,13-14H,2,11H2,1H3 |
InChI Key: | KOMOLAWDZYJJSX-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.085938 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.085938 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 92.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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