3,4,6-trifluoro-2-nitroaniline

3,4,6-trifluoro-2-nitroaniline

CAS: 361-39-7

Formula: C6H3F3N2O2

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

IUPAC: 3,4,6-trifluoro-2-nitroaniline

InChI: InChI=1S/C6H3F3N2O2/c7-2-1-3(8)5(10)6(4(2)9)11(12)13/h1H,10H2

Composition: C (37.52%), H (1.57%), F (29.67%), N (14.58%), O (16.66%)

Molar Mass: 192.097

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.014661834
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BREZOWVYIRTYKC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.73
Topological Polar Surface Area	69.16
Polarizability	12.99
Ring Count	1
Rotatable Bond Count	1

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