2-Bromo-4-chlorothioanisole - CAS 452082-73-4
Catalog: |
BB072114 |
Product Name: |
2-Bromo-4-chlorothioanisole |
CAS: |
452082-73-4 |
Synonyms: |
2-bromo-4-chloro-1-methylthiobenzene; 2-Bromo-4-chlorothioanisole; 2-bromo-4-chloro-1-methylsulfanylbenzene; (2-Bromo-4-chlorophenyl)(methyl)sulfane |
IUPAC Name: | 2-bromo-4-chloro-1-methylsulfanylbenzene |
Description: | 2-Bromo-4-chlorothioanisole |
Molecular Weight: | 237.55 |
Molecular Formula: | C7H6BrClS |
Canonical SMILES: | CSC1=C(C=C(C=C1)Cl)Br |
InChI: | InChI=1S/C7H6BrClS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3 |
InChI Key: | DITHVXVBKLNBHZ-UHFFFAOYSA-N |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.90621 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.90621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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