1-Bromo-3-(butane-1-sulfonyl)benzene - CAS 1215077-78-3
Catalog: |
BB072324 |
Product Name: |
1-Bromo-3-(butane-1-sulfonyl)benzene |
CAS: |
1215077-78-3 |
Synonyms: |
1-Bromo-3-(butane-1-sulfonyl)benzene; 1-bromo-3-butylsulfonylbenzene; 1-bromo-3-(butylsulfonyl)benzene |
IUPAC Name: | 1-bromo-3-butylsulfonylbenzene |
Description: | 1-Bromo-3-(butane-1-sulfonyl)benzene |
Molecular Weight: | 277.18 |
Molecular Formula: | C10H13BrO2S |
Canonical SMILES: | CCCCS(=O)(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C10H13BrO2S/c1-2-3-7-14(12,13)10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3 |
InChI Key: | RLIMMHFTKGAENL-UHFFFAOYSA-N |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.98196 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.98196 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 42.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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