Basic information
- CAS
173387-45-6- Standard SMILES
O=S(=O)(c1ccc(Br)cc1)C1CCCC1- InChIKey
FEVMOUOFLLDHPH-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2S
- Average molar mass
- 289.19 g/mol
- Monoisotopic mass
- 287.98196
Names & identifiers
- Preferred name
- 1-Bromo-4-(cyclopentanesulfonyl)benzene
- IUPAC
- 1-bromo-4-cyclopentylsulfonylbenzene
- English name
- 1-Bromo-4-(cyclopentanesulfonyl)benzene
- Molecular formula
- C11H13BrO2S
- Molecular weight
- 289.19
Names & synonyms
173387-45-61-Bromo-4-(cyclopentylsulfonyl)benzene1-Bromo-4-(cyclopentanesulfonyl)benzene1-bromo-4-cyclopentylsulfonylbenzeneMFCD20441888Benzene, 1-bromo-4-(cyclopentylsulfonyl)-SCHEMBL19398644-bromophenyl cyclopentyl sulfoneDTXSID70601482FEVMOUOFLLDHPH-UHFFFAOYSA-N1-bromo-4-cyclopentylsulfonyl-benzeneAKOS015888456
Show more names
BS-21720DB-162419CS-0209117
Database identifiers
- CAS
173387-45-6- PubChem CID
- 19959963
- DTXSID
DTXSID70601482
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 413.6 · 413.6±37.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers7 total
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
Related reactions
2 records
Compound notes
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