| CAS Number | 62433-22-1 |
| Catalog Number | AG00EKP3(AGN-PC-0JDNIW) |
| Chemical Name | 4-Fluorophenyl 2-nitrobenzoate |
| IUPAC Name | (4-fluorophenyl) 2-nitrobenzoate |
| InChI | InChI=1S/C13H8FNO4/c14-9-5-7-10(8-6-9)19-13(16)11-3-1-2-4-12(11)15(17)18/h1-8H |
| InChI Key | DKJRDVHPCGUKAS-UHFFFAOYSA-N |
| MDL Number | MFCD25953893 |
| Molecular Formula | C13H10FNO5 |
| Molecular Weight | 279.2206 |
| SMILES | Fc1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-] |
| Synonyms | 4-FLUOROPHENYL 2-NITROBENZOATE,
62433-22-1,
KM3595,
ZINC14467075,
CJ-14544,
V6951,
C13H8FNO4,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.208g/mol |
| Monoisotopic Mass | 261.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number