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4-chloro-2-methanesulfonylpyrimidine

4-chloro-2-methanesulfonylpyrimidine

CAS: 97229-11-3

Formula: C5H5ClN2O2S

SMILES: CS(=O)(=O)C1=NC=CC(Cl)=N1

IUPAC: 4-chloro-2-methanesulfonylpyrimidine

InChI: InChI=1S/C5H5ClN2O2S/c1-11(9,10)5-7-3-2-4(6)8-5/h2-3H,1H3

Composition: C (31.18%), H (2.62%), Cl (18.40%), N (14.54%), O (16.61%), S (16.64%)

Molar Mass: 192.62

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.9760263
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BWVZLXTZQHILRC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.54
Topological Polar Surface Area 59.92
Polarizability 16.65
Ring Count 1
Rotatable Bond Count 1

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98% <2 Days 97229-11-3 $74.75-$3,361.45$74.75$299.00$1,078.70$3,361.45
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