4-bromo-2-nitro-6-(trifluoromethoxy)aniline

4-bromo-2-nitro-6-(trifluoromethoxy)aniline

CAS: 1257535-31-1

Formula: C7H4BrF3N2O3

SMILES: NC1=C(OC(F)(F)F)C=C(Br)C=C1[N+]([O-])=O

IUPAC: 4-bromo-2-nitro-6-(trifluoromethoxy)aniline

InChI: InChI=1S/C7H4BrF3N2O3/c8-3-1-4(13(14)15)6(12)5(2-3)16-7(9,10)11/h1-2H,12H2

Composition: C (27.93%), H (1.34%), Br (26.54%), F (18.93%), N (9.31%), O (15.94%)

Molar Mass: 301.019

Atom Count: 20

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.935739
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DKXIIWNBIVXFTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.77
Topological Polar Surface Area	78.39
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1257535-31-1		$22.70-$204.28$22.70$204.28