3-Amino-5-(cyclopropylcarbamoyl)phenylboronic acid - CAS 1423129-20-7
Catalog: |
BB061310 |
Product Name: |
3-Amino-5-(cyclopropylcarbamoyl)phenylboronic acid |
CAS: |
1423129-20-7 |
Synonyms: |
3-AMINO-5-(CYCLOPROPYLCARBAMOYL)PHENYLBORONIC ACID; [3-amino-5-(cyclopropylcarbamoyl)phenyl]boronic acid |
IUPAC Name: | [3-amino-5-(cyclopropylcarbamoyl)phenyl]boronic acid |
Description: | 3-Amino-5-(cyclopropylcarbamoyl)phenylboronic acid |
Molecular Weight: | 220.03 |
Molecular Formula: | C10H13BN2O3 |
Canonical SMILES: | B(C1=CC(=CC(=C1)N)C(=O)NC2CC2)(O)O |
InChI: | InChI=1S/C10H13BN2O3/c12-8-4-6(3-7(5-8)11(15)16)10(14)13-9-1-2-9/h3-5,9,15-16H,1-2,12H2,(H,13,14) |
InChI Key: | FKFCXZDGUCEVJV-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.1019224 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.1019224 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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