1-methyl-2-nitro-4-(trifluoromethoxy)benzene

1-methyl-2-nitro-4-(trifluoromethoxy)benzene

CAS: 70692-45-4

Formula: C8H6F3NO3

SMILES: CC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O

IUPAC: 1-methyl-2-nitro-4-(trifluoromethoxy)benzene

InChI: InChI=1S/C8H6F3NO3/c1-5-2-3-6(15-8(9,10)11)4-7(5)12(13)14/h2-4H,1H3

Composition: C (43.45%), H (2.73%), F (25.77%), N (6.33%), O (21.70%)

Molar Mass: 221.135

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.029977546
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QQIQNKQBMWNOQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.49
Topological Polar Surface Area	52.37
Polarizability	16.15
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	70692-45-4		$160.15-$219.41$160.15$219.41