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[(2,4-difluorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

[(2,4-difluorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

CAS: 660431-66-3

Formula: C15H12F2NO2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C([N+]#C)C1=CC=C(F)C=C1F

IUPAC: [(2,4-difluorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

InChI: InChI=1/C15H12F2NO2S/c1-10-3-6-12(7-4-10)21(19,20)15(18-2)13-8-5-11(16)9-14(13)17/h2-9,15H,1H3/q+1

Composition: C (58.43%), H (3.92%), F (12.32%), N (4.54%), O (10.38%), S (10.40%)

Molar Mass: 308.32

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 308.055132551
Formal Charge 1
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AYYBKMRUCSJRDF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.47
Topological Polar Surface Area 38.5
Polarizability 29.19
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 660431-66-3 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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