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

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

Formula: C10H10F3NO3

SMILES: CCCOC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O

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

InChI: InChI=1S/C10H10F3NO3/c1-2-5-17-9-4-3-7(10(11,12)13)6-8(9)14(15)16/h3-4,6H,2,5H2,1H3

Composition: C (48.20%), H (4.05%), F (22.87%), N (5.62%), O (19.26%)

Molar Mass: 249.189

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.061277675
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HLZAIAJPBWWKDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.09
Topological Polar Surface Area	52.37
Polarizability	19.75
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H10F3NO3		Quote Only