Home Sulfos 3-[(3-bromophenyl)methanesulfonyl]propanoic acid

3-[(3-bromophenyl)methanesulfonyl]propanoic acid

CAS No.:
1017090-62-8
Catalog Number:
AG019NDB
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
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Product Description
Catalog Number:
AG019NDB
Chemical Name:
3-[(3-bromophenyl)methanesulfonyl]propanoic acid
CAS Number:
1017090-62-8
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
MDL Number:
MFCD09941790
IUPAC Name:
3-[(3-bromophenyl)methylsulfonyl]propanoic acid
InChI:
InChI=1S/C10H11BrO4S/c11-9-3-1-2-8(6-9)7-16(14,15)5-4-10(12)13/h1-3,6H,4-5,7H2,(H,12,13)
InChI Key:
ZQKRBSDSEBBJFQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)(=O)Cc1cccc(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:
1.3  
Properties