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70453-50-8 | N1-(4-FLUOROPHENYL)-2-MERCAPTOACETAMIDE
CAS No: 70453-50-8 Catalog No: AG005IWA MDL No:MFCD00115449
Product Description
Catalog Number:
AG005IWA
Chemical Name:
N1-(4-FLUOROPHENYL)-2-MERCAPTOACETAMIDE
CAS Number:
70453-50-8
Molecular Formula:
C8H8FNOS
Molecular Weight:
185.2186
MDL Number:
MFCD00115449
IUPAC Name:
N-(4-fluorophenyl)-2-sulfanylacetamide
InChI:
InChI=1S/C8H8FNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11)
InChI Key:
PDDDWWIWBOYWSB-UHFFFAOYSA-N
SMILES:
SCC(=O)Nc1ccc(cc1)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.216g/mol
Monoisotopic Mass:
185.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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