Home Other Building Blocks 3-(2,5-DICHLOROBENZENESULFINYL)PROPANOIC ACID

3-(2,5-DICHLOROBENZENESULFINYL)PROPANOIC ACID

CAS No.:
1249655-47-7
Catalog Number:
AG01EKAL
Molecular Formula:
C9H8Cl2O3S
Molecular Weight:
267.1290
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Product Description
Catalog Number:
AG01EKAL
Chemical Name:
3-(2,5-DICHLOROBENZENESULFINYL)PROPANOIC ACID
CAS Number:
1249655-47-7
Molecular Formula:
C9H8Cl2O3S
Molecular Weight:
267.1290
MDL Number:
MFCD14613016
IUPAC Name:
3-(2,5-dichlorophenyl)sulfinylpropanoic acid
InChI:
InChI=1S/C9H8Cl2O3S/c10-6-1-2-7(11)8(5-6)15(14)4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChI Key:
QBNJIMOKEXOFNS-UHFFFAOYSA-N
SMILES:
OC(=O)CCS(=O)c1cc(Cl)ccc1Cl
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.957g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.12g/mol
Monoisotopic Mass:
265.957g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties