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173387-45-6 | Benzene, 1-bromo-4-(cyclopentylsulfonyl)-
CAS No: 173387-45-6 Catalog No: AG001YUF MDL No:MFCD20441888
Product Description
Catalog Number:
AG001YUF
Chemical Name:
Benzene, 1-bromo-4-(cyclopentylsulfonyl)-
CAS Number:
173387-45-6
Molecular Formula:
C11H13BrO2S
Molecular Weight:
289.1887
MDL Number:
MFCD20441888
IUPAC Name:
1-bromo-4-cyclopentylsulfonylbenzene
InChI:
InChI=1S/C11H13BrO2S/c12-9-5-7-11(8-6-9)15(13,14)10-3-1-2-4-10/h5-8,10H,1-4H2
InChI Key:
FEVMOUOFLLDHPH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)C1CCCC1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.187g/mol
Monoisotopic Mass:
287.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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