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2-methyl-3-(trifluoromethoxy)aniline

2-methyl-3-(trifluoromethoxy)aniline

Formula: C8H8F3NO

SMILES: CC1=C(N)C=CC=C1OC(F)(F)F

IUPAC: 2-methyl-3-(trifluoromethoxy)aniline

InChI: InChI=1S/C8H8F3NO/c1-5-6(12)3-2-4-7(5)13-8(9,10)11/h2-4H,12H2,1H3

Composition: C (50.27%), H (4.22%), F (29.82%), N (7.33%), O (8.37%)

Molar Mass: 191.153

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.055798371
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZWBPDLJHVSDEJD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.87
Topological Polar Surface Area 35.25
Polarizability 15.18
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C8H8F3NO $1,740.97-$4,256.12$1,740.97$4,256.12
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