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4-amino-5-iodo-2-(trifluoromethyl)benzonitrile

4-amino-5-iodo-2-(trifluoromethyl)benzonitrile

CAS: 852569-35-8

Formula: C8H4F3IN2

SMILES: NC1=CC(=C(C=C1I)C#N)C(F)(F)F

IUPAC: 4-amino-5-iodo-2-(trifluoromethyl)benzonitrile

InChI: InChI=1S/C8H4F3IN2/c9-8(10,11)5-2-7(14)6(12)1-4(5)3-13/h1-2H,14H2

Composition: C (30.79%), H (1.29%), F (18.27%), I (40.67%), N (8.98%)

Molar Mass: 312.034

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 311.93713
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RJRDPZZROCNGCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.82
Topological Polar Surface Area 49.81
Polarizability 20.1
Ring Count 1
Rotatable Bond Count 1

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