1-ethoxy-2-nitro-4-(trifluoromethyl)benzene

1-ethoxy-2-nitro-4-(trifluoromethyl)benzene

CAS: 655-08-3

Formula: C9H8F3NO3

SMILES: CCOC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 1-ethoxy-2-nitro-4-(trifluoromethyl)benzene

InChI: InChI=1S/C9H8F3NO3/c1-2-16-8-4-3-6(9(10,11)12)5-7(8)13(14)15/h3-5H,2H2,1H3

Composition: C (45.97%), H (3.43%), F (24.24%), N (5.96%), O (20.41%)

Molar Mass: 235.162

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.045627611
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AKLSDZQCGRHYNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.56
Topological Polar Surface Area	52.37
Polarizability	17.97
Ring Count	1
Rotatable Bond Count	4

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