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18850-56-1 | Butanoic acid, 4-[(4-fluorophenyl)thio]-
CAS No: 18850-56-1 Catalog No: AG01FN2S MDL No:MFCD03407475
Product Description
Catalog Number:
AG01FN2S
Chemical Name:
Butanoic acid, 4-[(4-fluorophenyl)thio]-
CAS Number:
18850-56-1
Molecular Formula:
C10H11FO2S
Molecular Weight:
214.2565
MDL Number:
MFCD03407475
IUPAC Name:
4-(4-fluorophenyl)sulfanylbutanoic acid
InChI:
InChI=1S/C10H11FO2S/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:
KSIOAHCIEIQBOS-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSc1ccc(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:
214.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.254g/mol
Monoisotopic Mass:
214.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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