Home Halogens 4-(4-bromobenzenesulfinyl)butanoic acid

4-(4-bromobenzenesulfinyl)butanoic acid

CAS No.:
1248054-79-6
Catalog Number:
AG01AGQY
Molecular Formula:
C10H11BrO3S
Molecular Weight:
291.1615
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Product Description
Catalog Number:
AG01AGQY
Chemical Name:
4-(4-bromobenzenesulfinyl)butanoic acid
CAS Number:
1248054-79-6
Molecular Formula:
C10H11BrO3S
Molecular Weight:
291.1615
MDL Number:
MFCD14613193
IUPAC Name:
4-(4-bromophenyl)sulfinylbutanoic acid
InChI:
InChI=1S/C10H11BrO3S/c11-8-3-5-9(6-4-8)15(14)7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChI Key:
HCNOYBCQJITLQQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCS(=O)c1ccc(cc1)Br
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.961g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.159g/mol
Monoisotopic Mass:
289.961g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties