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2-methyl-5-(trifluoromethyl)benzamide

2-methyl-5-(trifluoromethyl)benzamide

CAS: 261951-97-7

Formula: C9H8F3NO

SMILES: CC1=CC=C(C=C1C(N)=O)C(F)(F)F

IUPAC: 2-methyl-5-(trifluoromethyl)benzamide

InChI: InChI=1S/C9H8F3NO/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H2,13,14)

Composition: C (53.21%), H (3.97%), F (28.05%), N (6.89%), O (7.87%)

Molar Mass: 203.164

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.055798371
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey WPKYOPRYNZOLOF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.15
Topological Polar Surface Area 43.09
Polarizability 16.18
Ring Count 1
Rotatable Bond Count 2

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