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2-bromo-5-methanesulfonylpyrazine

2-bromo-5-methanesulfonylpyrazine

Formula: C5H5BrN2O2S

SMILES: CS(=O)(=O)C1=CN=C(Br)C=N1

IUPAC: 2-bromo-5-methanesulfonylpyrazine

InChI: InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-3-7-4(6)2-8-5/h2-3H,1H3

Composition: C (25.33%), H (2.13%), Br (33.70%), N (11.82%), O (13.50%), S (13.52%)

Molar Mass: 237.07

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.925512
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AENSXEJTROWUTN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.53
Topological Polar Surface Area 59.92
Polarizability 17.71
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
95.14% <7 Days C5H5BrN2O2S $104.72-$1,784.92$104.72$503.03$849.92$1,784.92
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98% <10 Days C5H5BrN2O2S Quote Only
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