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884497-33-0 | 3-Thiophenecarbonitrile,2-amino-4-(4-fluorophenyl)-5-methyl-
CAS No: 884497-33-0 Catalog No: AG004H8B MDL No:MFCD02854894
Product Description
Catalog Number:
AG004H8B
Chemical Name:
3-Thiophenecarbonitrile,2-amino-4-(4-fluorophenyl)-5-methyl-
CAS Number:
884497-33-0
Molecular Formula:
C12H9FN2S
Molecular Weight:
232.2767
MDL Number:
MFCD02854894
IUPAC Name:
2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
InChI:
InChI=1S/C12H9FN2S/c1-7-11(10(6-14)12(15)16-7)8-2-4-9(13)5-3-8/h2-5H,15H2,1H3
InChI Key:
WCNNDHIDZAOFKG-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc(c1c1ccc(cc1)F)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.276g/mol
Monoisotopic Mass:
232.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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