| CAS Number | 1329171-65-4 |
| Catalog Number | AG00A11W(AGN-PC-0WNL7I) |
| Chemical Name | 5-Fluoro-2-nitrobenzeneboronic acid |
| IUPAC Name | (5-fluoro-2-nitrophenyl)boronic acid |
| 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 |
| MDL Number | MFCD09037802 |
| Molecular Formula | C6H5BFNO4 |
| Molecular Weight | 184.9176 |
| SMILES | OB(C1=CC(F)=CC=C1[N+]([O-])=O)O |
| Synonyms | 5-FLUORO-2-NITROBENZENEBORONIC ACID,
(5-fluoro-2-nitrophenyl)boronic acid,
1329171-65-4,
5-Fluoro-2-nitrophenylboronic acid,
SCHEMBL615820,
CTK7B8461,
LCQRDFNZZCPGOO-UHFFFAOYSA-N,
BBL100635,
MFCD09037802,
STL554429,
TE4081,
AKOS005255163,
ZINC169881029,
AS-55698,
TR-048484,
CS-0060349,
Y-9442,
ACN-044058,
819849-20-2,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.917g/mol |
| Monoisotopic Mass | 185.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number