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2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

CAS: 3584-23-4

Formula: C12H7Cl6N3O

SMILES: COC1=CC=C(C=C1)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

IUPAC: 2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

InChI: InChI=1S/C12H7Cl6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3

Composition: C (34.16%), H (1.67%), Cl (50.41%), N (9.96%), O (3.79%)

Molar Mass: 421.91

Atom Count: 29

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 418.8720281
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QRHHZFRCJDAUNA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.67
Topological Polar Surface Area 47.9
Polarizability 35.49
Ring Count 2
Rotatable Bond Count 4

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