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4-iodo-2-(trifluoromethyl)aniline

4-iodo-2-(trifluoromethyl)aniline

CAS: 97760-97-9

Formula: C7H5F3IN

SMILES: NC1=CC=C(I)C=C1C(F)(F)F

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

InChI: InChI=1S/C7H5F3IN/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3H,12H2

Composition: C (29.29%), H (1.76%), F (19.86%), I (44.21%), N (4.88%)

Molar Mass: 287.024

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.94188
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MAJKZNONEQIIGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.09
Topological Polar Surface Area 26.02
Polarizability 18.23
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 97760-97-9 $554.00-$924.00$554.00$739.00$924.00
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