N-(2-Methoxyethyl)-4-nitro-2-(trifluoromethyl)aniline - CAS 1183236-47-6
Catalog: |
BB056481 |
Product Name: |
N-(2-Methoxyethyl)-4-nitro-2-(trifluoromethyl)aniline |
CAS: |
1183236-47-6 |
Synonyms: |
N-(2-Methoxyethyl)-4-nitro-2-(trifluoromethyl)benzenamine |
IUPAC Name: | N-(2-methoxyethyl)-4-nitro-2-(trifluoromethyl)aniline |
Description: | N-(2-Methoxyethyl)-4-nitro-2-(trifluoromethyl)aniline |
Molecular Weight: | 264.2 |
Molecular Formula: | C10H11F3N2O3 |
Canonical SMILES: | COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C10H11F3N2O3/c1-18-5-4-14-9-3-2-7(15(16)17)6-8(9)10(11,12)13/h2-3,6,14H,4-5H2,1H3 |
InChI Key: | RWHNUVSVNLAVON-UHFFFAOYSA-N |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.0721767 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.0721767 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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