4-Bromo-2-chloro-1-methanesulfonylbenzene - CAS 648905-09-3
Catalog: |
BB055307 |
Product Name: |
4-Bromo-2-chloro-1-methanesulfonylbenzene |
CAS: |
648905-09-3 |
Synonyms: |
4-Bromo-2-chloro-1-methanesulfonylbenzene; 4-bromo-2-chloro-1-methylsulfonylbenzene; 4-Bromo-2-chloro-1-(methylsulfonyl)benzene; Benzene, 4-bromo-2-chloro-1-(methylsulfonyl)-; 4-bromo-2-chlorophenyl methyl sulfone |
IUPAC Name: | 4-bromo-2-chloro-1-methylsulfonylbenzene |
Description: | 4-Bromo-2-chloro-1-methanesulfonylbenzene |
Molecular Weight: | 269.54 |
Molecular Formula: | C7H6BrClO2S |
Canonical SMILES: | CS(=O)(=O)C1=C(C=C(C=C1)Br)Cl |
InChI: | InChI=1S/C7H6BrClO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3 |
InChI Key: | QOIHZAYTOAGCNP-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.89604 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.89604 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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