2-iodo-4-(trifluoromethoxy)aniline

2-iodo-4-(trifluoromethoxy)aniline

CAS: 845866-79-7

Formula: C7H5F3INO

SMILES: NC1=C(I)C=C(OC(F)(F)F)C=C1

IUPAC: 2-iodo-4-(trifluoromethoxy)aniline

InChI: InChI=1S/C7H5F3INO/c8-7(9,10)13-4-1-2-6(12)5(11)3-4/h1-3H,12H2

Composition: C (27.75%), H (1.66%), F (18.81%), I (41.88%), N (4.62%), O (5.28%)

Molar Mass: 303.023

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.93679
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QDKAGYKFJHVWBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.19
Topological Polar Surface Area	35.25
Polarizability	19.05
Ring Count	1
Rotatable Bond Count	2

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