4-chloro-6-methanesulfonyl-2-methylpyrimidine

4-chloro-6-methanesulfonyl-2-methylpyrimidine

CAS: 867131-59-7

Formula: C6H7ClN2O2S

SMILES: CC1=NC(Cl)=CC(=N1)S(C)(=O)=O

IUPAC: 4-chloro-6-methanesulfonyl-2-methylpyrimidine

InChI: InChI=1S/C6H7ClN2O2S/c1-4-8-5(7)3-6(9-4)12(2,10)11/h3H,1-2H3

Composition: C (34.87%), H (3.41%), Cl (17.16%), N (13.56%), O (15.48%), S (15.51%)

Molar Mass: 206.64

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.9916763
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PJFRMAOIZKONLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.53
Topological Polar Surface Area	59.92
Polarizability	18.38
Ring Count	1
Rotatable Bond Count	1

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