3-[(2-Methanesulfonyl-5-nitrophenyl)amino]propan-1-ol - CAS 1437795-14-6
Catalog: |
BB063714 |
Product Name: |
3-[(2-Methanesulfonyl-5-nitrophenyl)amino]propan-1-ol |
CAS: |
1437795-14-6 |
Synonyms: |
3-[(2-Methanesulfonyl-5-nitrophenyl)amino]propan-1-ol; 3-(2-methylsulfonyl-5-nitroanilino)propan-1-ol; 1-Propanol, 3-[[2-(methylsulfonyl)-5-nitrophenyl]amino]- |
IUPAC Name: | 3-(2-methylsulfonyl-5-nitroanilino)propan-1-ol |
Description: | 3-[(2-Methanesulfonyl-5-nitrophenyl)amino]propan-1-ol is a useful research chemical. |
Molecular Weight: | 256.32 |
Molecular Formula: | C11H16N2O3S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])NCCCO |
InChI: | InChI=1S/C10H14N2O5S/c1-18(16,17)10-4-3-8(12(14)15)7-9(10)11-5-2-6-13/h3-4,7,11,13H,2,5-6H2,1H3 |
InChI Key: | XNIVBUCQZYGBAL-UHFFFAOYSA-N |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.06234272 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.06234272 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 121Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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