N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide - CAS 1845706-41-3
Catalog: |
BB058696 |
Product Name: |
N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide |
CAS: |
1845706-41-3 |
Synonyms: |
N-[2-NITRO-5-(TRIFLUOROMETHYL)PHENYL]METHANESULFONAMIDE; N-(2-Nitro-5-(trifluoromethyl)phenyl)methanesulfonamide |
IUPAC Name: | N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide |
Description: | N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide |
Molecular Weight: | 284.21 |
Molecular Formula: | C8H7F3N2O4S |
Canonical SMILES: | CS(=O)(=O)NC1=C(C=CC(=C1)C(F)(F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7F3N2O4S/c1-18(16,17)12-6-4-5(8(9,10)11)2-3-7(6)13(14)15/h2-4,12H,1H3 |
InChI Key: | OWFMTTDOFPVFBH-UHFFFAOYSA-N |
Complexity: | 412 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.00786237 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.00786237 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 100Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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