N-[2-bromo-4-(trifluoromethoxy)phenyl]acetamide

N-[2-bromo-4-(trifluoromethoxy)phenyl]acetamide

CAS: 131395-29-4

Formula: C9H7BrF3NO2

SMILES: CC(=O)NC1=CC=C(OC(F)(F)F)C=C1Br

IUPAC: N-[2-bromo-4-(trifluoromethoxy)phenyl]acetamide

InChI: InChI=1S/C9H7BrF3NO2/c1-5(15)14-8-3-2-6(4-7(8)10)16-9(11,12)13/h2-4H,1H3,(H,14,15)

Composition: C (36.27%), H (2.37%), Br (26.81%), F (19.12%), N (4.70%), O (10.74%)

Molar Mass: 298.059

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.961226
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZTFDDTDGNZYFAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.61
Topological Polar Surface Area	38.33
Polarizability	20.39
Ring Count	1
Rotatable Bond Count	3

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