| CAS Number | 131885-34-2 |
| Catalog Number | AG000ZVG(AGN-PC-002FPF) |
| Chemical Name | Benzenemethanamine, N-(5-fluoro-2-nitrophenyl)- |
| IUPAC Name | N-benzyl-5-fluoro-2-nitroaniline |
| InChI | InChI=1S/C13H11FN2O2/c14-11-6-7-13(16(17)18)12(8-11)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2 |
| InChI Key | AEFSTURDBIFIBJ-UHFFFAOYSA-N |
| MDL Number | MFCD17336280 |
| Molecular Formula | C13H11FN2O2 |
| Molecular Weight | 246.2370 |
| SMILES | C(C1=CC=CC=C1)NC1=C(C=CC(=C1)F)[N+](=O)[O-] |
| Synonyms | N-Benzyl-5-fluoro-2-nitroaniline,
131885-34-2,
ACMC-209bo5,
SCHEMBL3513090,
CTK8B0140,
DTXSID10563631,
AEFSTURDBIFIBJ-UHFFFAOYSA-N,
N1-benzyl-5-fluoro-2-nitroaniline,
ANW-19395,
MFCD17336280,
ZINC52119132,
AKOS006079538,
Benzyl-(5-fluoro-2-nitrophenyl)amine,
Benzyl-(5-fluoro-2-nitro-phenyl)-amine,
TC-108140,
Z9632,
B-8777,
Benzenemethanamine, N-(5-fluoro-2-nitrophenyl)-,
C13H11FN2O2,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.241g/mol |
| Monoisotopic Mass | 246.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number