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{[3-(methoxycarbonyl)phenyl](4-methylbenzenesulfonyl)methyl}(methylidyne)azanium

{[3-(methoxycarbonyl)phenyl](4-methylbenzenesulfonyl)methyl}(methylidyne)azanium

Formula: C17H16NO4S

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

IUPAC: {[3-(methoxycarbonyl)phenyl](4-methylbenzenesulfonyl)methyl}(methylidyne)azanium

InChI: InChI=1/C17H16NO4S/c1-12-7-9-15(10-8-12)23(20,21)16(18-2)13-5-4-6-14(11-13)17(19)22-3/h2,4-11,16H,1,3H3/q+1

Composition: C (61.80%), H (4.88%), N (4.24%), O (19.37%), S (9.70%)

Molar Mass: 330.38

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 330.079455593
Formal Charge 1
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OAUNBWJCKWTYEH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.06
Topological Polar Surface Area 64.8
Polarizability 34.22
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C17H16NO4S $126.63$126.63
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