N-(2-Fluorophenyl)-4-nitro-N-(4-nitrophenyl)aniline - CAS 1864060-72-9
Catalog: |
BB064688 |
Product Name: |
N-(2-Fluorophenyl)-4-nitro-N-(4-nitrophenyl)aniline |
CAS: |
1864060-72-9 |
Synonyms: |
2-Fluoro-N,N-bis(4-nitrophenyl)aniline; N-(2-Fluorophenyl)-4-nitro-N-(4-nitrophenyl)aniline |
IUPAC Name: | 2-fluoro-N,N-bis(4-nitrophenyl)aniline |
Description: | N-(2-Fluorophenyl)-4-nitro-N-(4-nitrophenyl)aniline |
Molecular Weight: | 353.3 |
Molecular Formula: | C18H12FN3O4 |
Canonical SMILES: | C1=CC=C(C(=C1)N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])F |
InChI: | InChI=1S/C18H12FN3O4/c19-17-3-1-2-4-18(17)20(13-5-9-15(10-6-13)21(23)24)14-7-11-16(12-8-14)22(25)26/h1-12H |
InChI Key: | KCQDSAJSMBZSJV-UHFFFAOYSA-N |
Complexity: | 460 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 353.08118403 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 353.08118403 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 94.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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