2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline - CAS 1420800-34-5
Catalog: |
BB060229 |
Product Name: |
2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline |
CAS: |
1420800-34-5 |
Synonyms: |
N,N-dimethyl-2-(methylsulfonyl)-5-nitroaniline |
IUPAC Name: | N,N-dimethyl-2-methylsulfonyl-5-nitroaniline |
Description: | 2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline is a useful research chemical. |
Molecular Weight: | 244.27 |
Molecular Formula: | C9H12N2O4S |
Canonical SMILES: | CN(C)C1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)C |
InChI: | InChI=1S/C9H12N2O4S/c1-10(2)8-6-7(11(12)13)4-5-9(8)16(3,14)15/h4-6H,1-3H3 |
InChI Key: | FUALTCLJNGRRGR-UHFFFAOYSA-N |
Complexity: | 355 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.05177804 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.05177804 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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