5-Fluoro-2-nitrobenzeneboronic acid - CAS 1329171-65-4
Catalog: |
BB065082 |
Product Name: |
5-Fluoro-2-nitrobenzeneboronic acid |
CAS: |
1329171-65-4 |
Synonyms: |
5-FLUORO-2-NITROBENZENEBORONIC ACID; (5-fluoro-2-nitrophenyl)boronic acid; 5-Fluoro-2-nitrophenylboronic acid; (5-fluoro-2-nitrophenyl)boronicacid |
IUPAC Name: | (5-fluoro-2-nitrophenyl)boronic acid |
Description: | 5-Fluoro-2-nitrobenzeneboronic acid |
Molecular Weight: | 184.92 |
Molecular Formula: | C6H5BFNO4 |
Canonical SMILES: | B(C1=C(C=CC(=C1)F)[N+](=O)[O-])(O)O |
InChI: | InChI=1S/C6H5BFNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3,10-11H |
InChI Key: | LCQRDFNZZCPGOO-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.029566 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.029566 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 86.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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