methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

CAS: 71145-03-4

Formula: C16H15F3N2O4

SMILES: COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1C(F)(F)F)[N+]([O-])=O

IUPAC: methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

InChI: InChI=1/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3

Composition: C (53.94%), H (4.24%), F (16.00%), N (7.86%), O (17.96%)

Molar Mass: 356.301

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	356.09839146
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZFLWDHHVRRZMEI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.34
Topological Polar Surface Area	81.47
Polarizability	30.76
Ring Count	2
Rotatable Bond Count	5

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