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2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide

2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide

CAS: 1939-29-3

Formula: C9H5Cl3F3NO

SMILES: FC(F)(F)C1=CC=CC(NC(=O)C(Cl)(Cl)Cl)=C1

IUPAC: 2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide

InChI: InChI=1S/C9H5Cl3F3NO/c10-8(11,12)7(17)16-6-3-1-2-5(4-6)9(13,14)15/h1-4H,(H,16,17)

Composition: C (35.27%), H (1.64%), Cl (34.70%), F (18.60%), N (4.57%), O (5.22%)

Molar Mass: 306.49

Atom Count: 22

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 304.9388814
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KQIOOEOHDXWXQY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.41
Topological Polar Surface Area 29.1
Polarizability 22.35
Ring Count 1
Rotatable Bond Count 3

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