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771477-12-4 | N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
CAS No: 771477-12-4 Catalog No: AG005DUT MDL No:
Product Description
Catalog Number:
AG005DUT
Chemical Name:
N-[4-[(4-Amino-2-fluorophenyl)thio]phenyl]acetamide
CAS Number:
771477-12-4
Molecular Formula:
C14H13FN2OS
Molecular Weight:
276.3292
IUPAC Name:
N-[4-(4-amino-2-fluorophenyl)sulfanylphenyl]acetamide
InChI:
InChI=1S/C14H13FN2OS/c1-9(18)17-11-3-5-12(6-4-11)19-14-7-2-10(16)8-13(14)15/h2-8H,16H2,1H3,(H,17,18)
InChI Key:
BAMQHNRNCNMFTK-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)Sc1ccc(cc1F)N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.329g/mol
Monoisotopic Mass:
276.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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