1-chloro-2-fluoro-5-nitro-3-(trifluoromethyl)benzene

1-chloro-2-fluoro-5-nitro-3-(trifluoromethyl)benzene

CAS: 914225-55-1

Formula: C7H2ClF4NO2

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

IUPAC: 1-chloro-2-fluoro-5-nitro-3-(trifluoromethyl)benzene

InChI: InChI=1S/C7H2ClF4NO2/c8-5-2-3(13(14)15)1-4(6(5)9)7(10,11)12/h1-2H

Composition: C (34.52%), H (0.83%), Cl (14.56%), F (31.20%), N (5.75%), O (13.14%)

Molar Mass: 243.54

Atom Count: 17

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.9710187
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DXSHRLNTFMMNIQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.37
Topological Polar Surface Area	43.14
Polarizability	15.66
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	914225-55-1		$204.28$204.28