methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(4-methylphenyl)prop-2-enoate

methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(4-methylphenyl)prop-2-enoate

CAS: 672949-11-0

Formula: C17H13ClF3NO2

SMILES: COC(=O)C(=CC1=CC=C(C)C=C1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(4-methylphenyl)prop-2-enoate

InChI: InChI=1S/C17H13ClF3NO2/c1-10-3-5-11(6-4-10)7-13(16(23)24-2)15-14(18)8-12(9-22-15)17(19,20)21/h3-9H,1-2H3

Composition: C (57.40%), H (3.68%), Cl (9.97%), F (16.02%), N (3.94%), O (8.99%)

Molar Mass: 355.74

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	355.0586909
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LKZJBTFSFHUDCK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	85.57
Topological Polar Surface Area	39.19
Polarizability	31.69
Ring Count	2
Rotatable Bond Count	5

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