2-Bromo-1-methanesulfonyl-4-nitrobenzene - CAS 180297-54-5
Catalog: |
BB055372 |
Product Name: |
2-Bromo-1-methanesulfonyl-4-nitrobenzene |
CAS: |
180297-54-5 |
Synonyms: |
2-bromo-1-(methylsulfonyl)-4-nitrobenzene; 2-Bromo-1-methanesulfonyl-4-nitrobenzene; 2-bromo-1-methylsulfonyl-4-nitrobenzene |
IUPAC Name: | 2-bromo-1-methylsulfonyl-4-nitrobenzene |
Description: | 2-Bromo-1-methanesulfonyl-4-nitrobenzene |
Molecular Weight: | 280.09 |
Molecular Formula: | C7H6BrNO4S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H6BrNO4S/c1-14(12,13)7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3 |
InChI Key: | RKUAFVBITZRKPS-UHFFFAOYSA-N |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.92009 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.92009 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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