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332-51-4 | 2-((4-Fluorophenyl)thio)acetic acid
CAS No: 332-51-4 Catalog No: AG003BVW MDL No:MFCD00219825
Product Description
Catalog Number:
AG003BVW
Chemical Name:
2-((4-Fluorophenyl)thio)acetic acid
CAS Number:
332-51-4
Molecular Formula:
C8H7FO2S
Molecular Weight:
186.2034
MDL Number:
MFCD00219825
IUPAC Name:
2-(4-fluorophenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H7FO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
HQEROVXUKINLPI-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc(cc1)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.2g/mol
Monoisotopic Mass:
186.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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