ethyl 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate

ethyl 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate

CAS: 735-40-0

Formula: C11H11F3N2O4

SMILES: CCOC(=O)CNC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: ethyl 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetate

InChI: InChI=1S/C11H11F3N2O4/c1-2-20-10(17)6-15-8-4-3-7(11(12,13)14)5-9(8)16(18)19/h3-5,15H,2,6H2,1H3

Composition: C (45.21%), H (3.79%), F (19.50%), N (9.59%), O (21.90%)

Molar Mass: 292.214

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.067091331
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IPKGNONFSPKCGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.15
Topological Polar Surface Area	81.47
Polarizability	22.94
Ring Count	1
Rotatable Bond Count	7

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