Home Other Building Blocks 2-[(4-fluorophenyl)sulfanyl]propanoic acid

2-[(4-fluorophenyl)sulfanyl]propanoic acid

CAS No.:
155059-10-2
Catalog Number:
AG01BK8P
Molecular Formula:
C9H9FO2S
Molecular Weight:
200.2300
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Product Description
Catalog Number:
AG01BK8P
Chemical Name:
2-[(4-fluorophenyl)sulfanyl]propanoic acid
CAS Number:
155059-10-2
Molecular Formula:
C9H9FO2S
Molecular Weight:
200.2300
MDL Number:
MFCD09046232
IUPAC Name:
2-(4-fluorophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C9H9FO2S/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChI Key:
DCGVRKXPYLZLIS-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Sc1ccc(cc1)F
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.227g/mol
Monoisotopic Mass:
200.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties