Home Sulfos 4-(3-bromobenzenesulfonyl)butanoic acid

4-(3-bromobenzenesulfonyl)butanoic acid

CAS No.:
1338988-44-5
Catalog Number:
AG01C452
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
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Product Description
Catalog Number:
AG01C452
Chemical Name:
4-(3-bromobenzenesulfonyl)butanoic acid
CAS Number:
1338988-44-5
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
MDL Number:
MFCD17225278
IUPAC Name:
4-(3-bromophenyl)sulfonylbutanoic acid
InChI:
InChI=1S/C10H11BrO4S/c11-8-3-1-4-9(7-8)16(14,15)6-2-5-10(12)13/h1,3-4,7H,2,5-6H2,(H,12,13)
InChI Key:
XWUVYPJQUWYTJV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCS(=O)(=O)c1cccc(c1)Br
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.956g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.158g/mol
Monoisotopic Mass:
305.956g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties