| CAS Number | 1310403-77-0 |
| Catalog Number | AG01FFXZ(AGN-PC-3H4AHN) |
| Chemical Name | (4-(((4-fluorophenyl)amino)methyl)phenyl)boronic acid |
| IUPAC Name | [4-[(4-fluoroanilino)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H13BFNO2/c15-12-5-7-13(8-6-12)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16-18H,9H2 |
| InChI Key | CSNVMFZDDMXQIV-UHFFFAOYSA-N |
| MDL Number | MFCD29993037 |
| Molecular Formula | C13H13BFNO2 |
| Molecular Weight | 245.0572 |
| SMILES | FC1=CC=C(C=C1)NCC1=CC=C(C=C1)B(O)O |
| Synonyms | 1310403-77-0,
(4-Fluorophenylaminomethyl)-4-benzeneboronic acid,
(4-{[(4-fluorophenyl)amino]methyl}phenyl)boronic acid,
(4-(((4-Fluorophenyl)amino)methyl)phenyl)boronic acid,
CTK7C0915,
ZX-AP011814,
MFCD08458055,
PC2059,
SBB099939,
ZINC169809331,
AS-55494,
4-{[(4-Fluorophenyl)amino]methyl}benzeneboronic acid,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.06g/mol |
| Monoisotopic Mass | 245.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number