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N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzamide

N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzamide

CAS: 306980-86-9

Formula: C15H11FN2OS

SMILES: CSC1=C(C=C(NC(=O)C2=CC=C(F)C=C2)C=C1)C#N

IUPAC: N-[3-cyano-4-(methylsulfanyl)phenyl]-4-fluorobenzamide

InChI: InChI=1S/C15H11FN2OS/c1-20-14-7-6-13(8-11(14)9-17)18-15(19)10-2-4-12(16)5-3-10/h2-8H,1H3,(H,18,19)

Composition: C (62.92%), H (3.87%), F (6.64%), N (9.78%), O (5.59%), S (11.20%)

Molar Mass: 286.32

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 286.057612319
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GVZHOHJJYRNIGT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.29
Topological Polar Surface Area 52.89
Polarizability 29.31
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 306980-86-9 $51.35-$524.40$51.35$63.37$86.31$524.40
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