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[(2-fluorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

[(2-fluorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

CAS: 660431-65-2

Formula: C15H13FNO2S

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

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

InChI: InChI=1/C15H13FNO2S/c1-11-7-9-12(10-8-11)20(18,19)15(17-2)13-5-3-4-6-14(13)16/h2-10,15H,1H3/q+1

Composition: C (62.05%), H (4.51%), F (6.54%), N (4.82%), O (11.02%), S (11.04%)

Molar Mass: 290.33

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 290.06455442
Formal Charge 1
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QIWKWOCBHRGTFT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.26
Topological Polar Surface Area 38.5
Polarizability 29.46
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 660431-65-2 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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