4-chloro-2-iodo-5-(trifluoromethyl)aniline

4-chloro-2-iodo-5-(trifluoromethyl)aniline

CAS: 852569-36-9

Formula: C7H4ClF3IN

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

IUPAC: 4-chloro-2-iodo-5-(trifluoromethyl)aniline

InChI: InChI=1S/C7H4ClF3IN/c8-4-2-5(12)6(13)1-3(4)7(9,10)11/h1-2H,13H2

Composition: C (26.15%), H (1.25%), Cl (11.03%), F (17.73%), I (39.48%), N (4.36%)

Molar Mass: 321.47

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	320.90291
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	UIAJGKPIEJXINZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.9
Topological Polar Surface Area	26.02
Polarizability	20.25
Ring Count	1
Rotatable Bond Count	1

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