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156005-06-0 | Benzamide, 2-fluoro-N-[[(4-methylphenyl)amino]thioxomethyl]-
CAS No: 156005-06-0 Catalog No: AG001OGG MDL No:
Product Description
Catalog Number:
AG001OGG
Chemical Name:
Benzamide, 2-fluoro-N-[[(4-methylphenyl)amino]thioxomethyl]-
CAS Number:
156005-06-0
Molecular Formula:
C15H13FN2OS
Molecular Weight:
288.3399
IUPAC Name:
2-fluoro-N-[(4-methylphenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C15H13FN2OS/c1-10-6-8-11(9-7-10)17-15(20)18-14(19)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19,20)
InChI Key:
QYORTPNMEYAWPB-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1F)Nc1ccc(cc1)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.34g/mol
Monoisotopic Mass:
288.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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