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5-bromo-2-methanesulfonylpyrimidine

5-bromo-2-methanesulfonylpyrimidine

CAS: 38275-48-8

Formula: C5H5BrN2O2S

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

IUPAC: 5-bromo-2-methanesulfonylpyrimidine

InChI: InChI=1S/C5H5BrN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/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 MVIRMXABVKJKAR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.29
Topological Polar Surface Area 59.92
Polarizability 17.67
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 38275-48-8 $51.35-$640.21$51.35$63.37$86.31$196.65$640.21
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