Home Sulfos 2-[(3-bromophenyl)methanesulfonyl]propanoic acid

2-[(3-bromophenyl)methanesulfonyl]propanoic acid

CAS No.:
1016862-04-6
Catalog Number:
AG019ND3
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
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Product Description
Catalog Number:
AG019ND3
Chemical Name:
2-[(3-bromophenyl)methanesulfonyl]propanoic acid
CAS Number:
1016862-04-6
Molecular Formula:
C10H11BrO4S
Molecular Weight:
307.1609
MDL Number:
MFCD09936998
IUPAC Name:
2-[(3-bromophenyl)methylsulfonyl]propanoic acid
InChI:
InChI=1S/C10H11BrO4S/c1-7(10(12)13)16(14,15)6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key:
YVZBJAQYFZPKSF-UHFFFAOYSA-N
SMILES:
OC(=O)C(S(=O)(=O)Cc1cccc(c1)Br)C
Properties
Complexity:
346  
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:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties