1-Bromo-4-(butane-1-sulfonyl)benzene - CAS 403793-28-2
Catalog: |
BB072323 |
Product Name: |
1-Bromo-4-(butane-1-sulfonyl)benzene |
CAS: |
403793-28-2 |
Synonyms: |
1-Bromo-4-(butylsulfonyl)benzene; 1-Bromo-4-(butane-1-sulfonyl)benzene; 1-bromo-4-butylsulfonylbenzene |
IUPAC Name: | 1-bromo-4-butylsulfonylbenzene |
Description: | 1-Bromo-4-(butane-1-sulfonyl)benzene |
Molecular Weight: | 277.18 |
Molecular Formula: | C10H13BrO2S |
Canonical SMILES: | CCCCS(=O)(=O)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C10H13BrO2S/c1-2-3-8-14(12,13)10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3 |
InChI Key: | JFOOLODLNJPCDW-UHFFFAOYSA-N |
Complexity: | 248 |
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: | 2.7 |
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