4-methoxy-3-(trifluoromethyl)benzamide

4-methoxy-3-(trifluoromethyl)benzamide

CAS: 261951-86-4

Formula: C9H8F3NO2

SMILES: COC1=C(C=C(C=C1)C(N)=O)C(F)(F)F

IUPAC: 4-methoxy-3-(trifluoromethyl)benzamide

InChI: InChI=1S/C9H8F3NO2/c1-15-7-3-2-5(8(13)14)4-6(7)9(10,11)12/h2-4H,1H3,(H2,13,14)

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.050712991
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HCCSFTCLDDNWRP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.57
Topological Polar Surface Area	52.32
Polarizability	17.02
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	261951-86-4		$51.35-$86.31$51.35$63.37$86.31