1-Bromo-3-(butane-1-sulfinyl)benzene - CAS 1215077-69-2
Catalog: |
BB072325 |
Product Name: |
1-Bromo-3-(butane-1-sulfinyl)benzene |
CAS: |
1215077-69-2 |
Synonyms: |
1-Bromo-3-(butane-1-sulfinyl)benzene; 1-bromo-3-butylsulfinylbenzene; 1-Bromo-3-(butylsulfinyl)benzene |
IUPAC Name: | 1-bromo-3-butylsulfinylbenzene |
Description: | 1-Bromo-3-(butane-1-sulfinyl)benzene |
Molecular Weight: | 261.18 |
Molecular Formula: | C10H13BrOS |
Canonical SMILES: | CCCCS(=O)C1=CC(=CC=C1)Br |
InChI: | InChI=1S/C10H13BrOS/c1-2-3-7-13(12)10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3 |
InChI Key: | SCAHJFSTKOMTSN-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.98705 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.98705 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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