1-Bromo-2-methyl-3-(methylsulfonyl)benzene - CAS 871352-94-2
Catalog: |
BB038299 |
Product Name: |
1-Bromo-2-methyl-3-(methylsulfonyl)benzene |
CAS: |
871352-94-2 |
Synonyms: |
1-bromo-2-methyl-3-methylsulfonylbenzene; 1-bromo-2-methyl-3-methylsulfonylbenzene |
IUPAC Name: | 1-bromo-2-methyl-3-methylsulfonylbenzene |
Description: | 1-Bromo-2-methyl-3-(methylsulfonyl)benzene (CAS# 871352-94-2 ) is a useful research chemical. |
Molecular Weight: | 249.12 |
Molecular Formula: | C8H9BrO2S |
Canonical SMILES: | CC1=C(C=CC=C1Br)S(=O)(=O)C |
InChI: | InChI=1S/C8H9BrO2S/c1-6-7(9)4-3-5-8(6)12(2,10)11/h3-5H,1-2H3 |
InChI Key: | FOTWJWSTPVURRL-UHFFFAOYSA-N |
LogP: | 3.24180 |
Publication Number | Title | Priority Date |
EP-2763968-B1 | Herbicidal pyridazinone derivatives | 20111004 |
KR-101986484-B1 | Substituted quinolines and their use as medicaments | 20110726 |
AU-2005251906-A1 | New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission | 20040608 |
AU-2005251906-B2 | New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission | 20040608 |
CA-2569840-C | New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission | 20040608 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.95066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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