N-Cyclopropyl-4-nitro-2-(trifluoromethyl)aniline - CAS 1179935-12-6
Catalog: |
BB069050 |
Product Name: |
N-Cyclopropyl-4-nitro-2-(trifluoromethyl)aniline |
CAS: |
1179935-12-6 |
Synonyms: |
N-Cyclopropyl-4-nitro-2-(trifluoromethyl)benzenamine |
IUPAC Name: | N-cyclopropyl-4-nitro-2-(trifluoromethyl)aniline |
Description: | N-Cyclopropyl-4-nitro-2-(trifluoromethyl)aniline |
Molecular Weight: | 246.19 |
Molecular Formula: | C10H9F3N2O2 |
Canonical SMILES: | C1CC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C10H9F3N2O2/c11-10(12,13)8-5-7(15(16)17)3-4-9(8)14-6-1-2-6/h3-6,14H,1-2H2 |
InChI Key: | FDTIGTKOZJEUPY-UHFFFAOYSA-N |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.06161202 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.06161202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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