5-Bromo-2-(methylsulfonyl)benzotrifluoride - CAS 300356-32-5
Catalog: |
BB020418 |
Product Name: |
5-Bromo-2-(methylsulfonyl)benzotrifluoride |
CAS: |
300356-32-5 |
Synonyms: |
4-bromo-1-methylsulfonyl-2-(trifluoromethyl)benzene; 4-bromo-1-methylsulfonyl-2-(trifluoromethyl)benzene |
IUPAC Name: | 4-bromo-1-methylsulfonyl-2-(trifluoromethyl)benzene |
Description: | 5-Bromo-2-(methylsulfonyl)benzotrifluoride (CAS# 300356-32-5) is a useful research chemical. |
Molecular Weight: | 303.10 |
Molecular Formula: | C8H6BrF3O2S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H6BrF3O2S/c1-15(13,14)7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3 |
InChI Key: | DJWJDMOGILQESS-UHFFFAOYSA-N |
MDL: | MFCD13195738 |
LogP: | 3.95220 |
Publication Number | Title | Priority Date |
EP-3089974-A1 | Novel imidazolidine-2,4-dione derivatives | 20131231 |
EP-3089974-B1 | Novel imidazolidine-2,4-dione derivatives | 20131231 |
EP-3089975-A1 | Novel imidazolidine-2, 4-dione derivatives | 20131231 |
EP-3089975-B1 | Novel imidazolidine-2, 4-dione derivatives | 20131231 |
ES-2686353-T3 | New derivatives of imidazolidino-2,4-dione | 20131231 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.9224 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.9224 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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