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155649-26-6 | Butanoic acid, 2-[(4-chlorophenyl)thio]-
CAS No: 155649-26-6 Catalog No: AG001O3E MDL No:
Product Description
Catalog Number:
AG001O3E
Chemical Name:
Butanoic acid, 2-[(4-chlorophenyl)thio]-
CAS Number:
155649-26-6
Molecular Formula:
C10H11ClO2S
Molecular Weight:
230.7111
IUPAC Name:
2-(4-chlorophenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C10H11ClO2S/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)
InChI Key:
LMJJRALBSPNZLX-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Sc1ccc(cc1)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.706g/mol
Monoisotopic Mass:
230.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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