Home Sulfos 1-(bromomethyl)-4-(ethanesulfonyl)benzene

1-(bromomethyl)-4-(ethanesulfonyl)benzene

CAS No.:
90561-19-6
Catalog Number:
AG01AN5N
Molecular Formula:
C9H11BrO2S
Molecular Weight:
263.1514
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Product Description
Catalog Number:
AG01AN5N
Chemical Name:
1-(bromomethyl)-4-(ethanesulfonyl)benzene
CAS Number:
90561-19-6
Molecular Formula:
C9H11BrO2S
Molecular Weight:
263.1514
MDL Number:
MFCD20267029
IUPAC Name:
1-(bromomethyl)-4-ethylsulfonylbenzene
InChI:
InChI=1S/C9H11BrO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
InChI Key:
PCDCAUSAEZLPSV-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)S(=O)(=O)CC
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.966g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.149g/mol
Monoisotopic Mass:
261.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties