N-(2-methoxyethyl)-2-nitro-4-(trifluoromethyl)aniline

N-(2-methoxyethyl)-2-nitro-4-(trifluoromethyl)aniline

CAS: 161605-63-6

Formula: C10H11F3N2O3

SMILES: COCCNC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O

IUPAC: N-(2-methoxyethyl)-2-nitro-4-(trifluoromethyl)aniline

InChI: InChI=1S/C10H11F3N2O3/c1-18-5-4-14-8-3-2-7(10(11,12)13)6-9(8)15(16)17/h2-3,6,14H,4-5H2,1H3

Composition: C (45.46%), H (4.20%), F (21.57%), N (10.60%), O (18.17%)

Molar Mass: 264.204

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.072176711
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KYEGXXPRPYEOEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.59
Topological Polar Surface Area	64.4
Polarizability	20.95
Ring Count	1
Rotatable Bond Count	6

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