1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene - CAS 1820739-59-0
Catalog: |
BB055387 |
Product Name: |
1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene |
CAS: |
1820739-59-0 |
Synonyms: |
1-Bromo-4-(methylsulfonyl)-2-nitro-5-(trifluoromethoxy)benzene; 1-BROMO-4-METHANESULFONYL-2-NITRO-5-(TRIFLUOROMETHOXY)BENZENE; 1-bromo-4-methylsulfonyl-2-nitro-5-(trifluoromethoxy)benzene |
IUPAC Name: | 1-bromo-4-methylsulfonyl-2-nitro-5-(trifluoromethoxy)benzene |
Description: | 1-Bromo-4-methanesulfonyl-2-nitro-5-(trifluoromethoxy)benzene |
Molecular Weight: | 364.09 |
Molecular Formula: | C8H5BrF3NO5S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C(=C1)[N+](=O)[O-])Br)OC(F)(F)F |
InChI: | InChI=1S/C8H5BrF3NO5S/c1-19(16,17)7-3-5(13(14)15)4(9)2-6(7)18-8(10,11)12/h2-3H,1H3 |
InChI Key: | SNJGGEKRDSOIGK-UHFFFAOYSA-N |
Complexity: | 443 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.90239 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.90239 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 97.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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