2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

CAS: 486993-06-0

Formula: C18H15BrF3NO4

SMILES: CCOC1=CC(C=O)=CC(Br)=C1OCC(=O)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

InChI: InChI=1S/C18H15BrF3NO4/c1-2-26-15-7-11(9-24)6-14(19)17(15)27-10-16(25)23-13-5-3-4-12(8-13)18(20,21)22/h3-9H,2,10H2,1H3,(H,23,25)

Composition: C (48.45%), H (3.39%), Br (17.91%), F (12.77%), N (3.14%), O (14.34%)

Molar Mass: 446.22

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	445.013655
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FJLBMICFSHAOOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.28
Topological Polar Surface Area	64.63
Polarizability	35.92
Ring Count	2
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	486993-06-0		$85.80$85.80