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89114-60-3 | Benzamide, N-methoxy-2-(phenylthio)-
CAS No: 89114-60-3 Catalog No: AG003YC5 MDL No:
Product Description
Catalog Number:
AG003YC5
Chemical Name:
Benzamide, N-methoxy-2-(phenylthio)-
CAS Number:
89114-60-3
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
N-methoxy-2-phenylsulfanylbenzamide
InChI:
InChI=1S/C14H13NO2S/c1-17-15-14(16)12-9-5-6-10-13(12)18-11-7-3-2-4-8-11/h2-10H,1H3,(H,15,16)
InChI Key:
XPZYRUVMUQNSBK-UHFFFAOYSA-N
SMILES:
CONC(=O)c1ccccc1Sc1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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