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29193-63-3 | Butanoic acid, 4-[(4-chlorophenyl)thio]-
CAS No: 29193-63-3 Catalog No: AG002XMU MDL No:MFCD00460787
Product Description
Catalog Number:
AG002XMU
Chemical Name:
Butanoic acid, 4-[(4-chlorophenyl)thio]-
CAS Number:
29193-63-3
Molecular Formula:
C10H11ClO2S
Molecular Weight:
230.7111
MDL Number:
MFCD00460787
IUPAC Name:
4-(4-chlorophenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C10H11ClO2S/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChI Key:
SBRQBQHVYFSULX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSc1ccc(cc1)Cl
Properties
Complexity:
179
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:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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