3-Amino-5-carbamoylphenylboronic acid - CAS 1801408-17-2
Catalog: |
BB075041 |
Product Name: |
3-Amino-5-carbamoylphenylboronic acid |
CAS: |
1801408-17-2 |
Synonyms: |
3-Amino-5-carbamoylphenylboronic acid; (3-AMINO-5-CARBAMOYLPHENYL)BORONIC ACID; (3-AMINO-5-CARBAMOYLPHENYL)BORONICACID |
IUPAC Name: | (3-amino-5-carbamoylphenyl)boronic acid |
Description: | 3-Amino-5-carbamoylphenylboronic acid |
Molecular Weight: | 179.97 |
Molecular Formula: | C7H9BN2O3 |
Canonical SMILES: | B(C1=CC(=CC(=C1)N)C(=O)N)(O)O |
InChI: | InChI=1S/C7H9BN2O3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,9H2,(H2,10,11) |
InChI Key: | SGUFPLUNZOZMTQ-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0706223 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0706223 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 110Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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