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158959-73-0 | Benzene, 1-(2-bromo-1-cyclopenten-1-yl)-4-(methylsulfonyl)-
CAS No: 158959-73-0 Catalog No: AG001R1R MDL No:MFCD27945527
Product Description
Catalog Number:
AG001R1R
Chemical Name:
Benzene, 1-(2-bromo-1-cyclopenten-1-yl)-4-(methylsulfonyl)-
CAS Number:
158959-73-0
Molecular Formula:
C12H13BrO2S
Molecular Weight:
301.1994
MDL Number:
MFCD27945527
IUPAC Name:
1-(2-bromocyclopenten-1-yl)-4-methylsulfonylbenzene
InChI:
InChI=1S/C12H13BrO2S/c1-16(14,15)10-7-5-9(6-8-10)11-3-2-4-12(11)13/h5-8H,2-4H2,1H3
InChI Key:
CUWKVZPMENSWBH-UHFFFAOYSA-N
SMILES:
BrC1=C(CCC1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.198g/mol
Monoisotopic Mass:
299.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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