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6-methanesulfonylpyridine-2-carbaldehyde

6-methanesulfonylpyridine-2-carbaldehyde

CAS: 1780013-94-6

Formula: C7H7NO3S

SMILES: CS(=O)(=O)C1=NC(C=O)=CC=C1

IUPAC: 6-methanesulfonylpyridine-2-carbaldehyde

InChI: InChI=1S/C7H7NO3S/c1-12(10,11)7-4-2-3-6(5-9)8-7/h2-5H,1H3

Composition: C (45.40%), H (3.81%), N (7.56%), O (25.92%), S (17.31%)

Molar Mass: 185.2

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.014664263
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey IDQUTIILZUWXIF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.42
Topological Polar Surface Area 64.1
Polarizability 17.4
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1780013-94-6 $85.75-$177.80$85.75$118.53$177.80
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