2-[(4-chlorophenyl)methanesulfonyl]-4-methylpyrimidine

2-[(4-chlorophenyl)methanesulfonyl]-4-methylpyrimidine

CAS: 866133-99-5

Formula: C12H11ClN2O2S

SMILES: CC1=CC=NC(=N1)S(=O)(=O)CC1=CC=C(Cl)C=C1

IUPAC: 2-[(4-chlorophenyl)methanesulfonyl]-4-methylpyrimidine

InChI: InChI=1S/C12H11ClN2O2S/c1-9-6-7-14-12(15-9)18(16,17)8-10-2-4-11(13)5-3-10/h2-7H,8H2,1H3

Composition: C (50.98%), H (3.92%), Cl (12.54%), N (9.91%), O (11.32%), S (11.34%)

Molar Mass: 282.74

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	282.0229765
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AGCJVVWTKHPUBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.6
Topological Polar Surface Area	59.92
Polarizability	27.8
Ring Count	2
Rotatable Bond Count	3

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