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4,6-bis(3,5-dichlorophenyl)-2-methylpyrimidine

4,6-bis(3,5-dichlorophenyl)-2-methylpyrimidine

CAS: 1030380-50-7

Formula: C17H10Cl4N2

SMILES: CC1=NC(=CC(=N1)C1=CC(Cl)=CC(Cl)=C1)C1=CC(Cl)=CC(Cl)=C1

IUPAC: 4,6-bis(3,5-dichlorophenyl)-2-methylpyrimidine

InChI: InChI=1S/C17H10Cl4N2/c1-9-22-16(10-2-12(18)6-13(19)3-10)8-17(23-9)11-4-14(20)7-15(21)5-11/h2-8H,1H3

Composition: C (53.16%), H (2.62%), Cl (36.92%), N (7.29%)

Molar Mass: 384.08

Atom Count: 33

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 381.9598091
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XTGFEBOHSVVMNP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 96.09
Topological Polar Surface Area 25.78
Polarizability 39.66
Ring Count 3
Rotatable Bond Count 2

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