2-Bromo-2-methyl-1-[4-(methylsulfonyl)phenyl]-1-propanone - CAS 189955-79-1
Catalog: |
BB072079 |
Product Name: |
2-Bromo-2-methyl-1-[4-(methylsulfonyl)phenyl]-1-propanone |
CAS: |
189955-79-1 |
Synonyms: |
2-Bromo-2-methyl-1-(4-methylsulfonylphenyl)propan-1-one |
IUPAC Name: | 2-bromo-2-methyl-1-(4-methylsulfonylphenyl)propan-1-one |
Description: | 2-Bromo-2-methyl-1-[4-(methylsulfonyl)phenyl]-1-propanone is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 305.19 |
Molecular Formula: | C11H13BrO3S |
Canonical SMILES: | CC(C)(C(=O)C1=CC=C(C=C1)S(=O)(=O)C)Br |
InChI: | InChI=1S/C11H13BrO3S/c1-11(2,12)10(13)8-4-6-9(7-5-8)16(3,14)15/h4-7H,1-3H3 |
InChI Key: | XYJYOXRPGNOGEP-UHFFFAOYSA-N |
Melting Point: | 119-120°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | 4°C, Hygroscopic |
References: | Leblanc, Y., et al. Bioorg. Med. Chem. Lett., 12, 3317 (2002). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.97688 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.97688 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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