N-[2-amino-4-bromo-5-(trifluoromethyl)phenyl]acetamide

N-[2-amino-4-bromo-5-(trifluoromethyl)phenyl]acetamide

CAS: 157554-73-9

Formula: C9H8BrF3N2O

SMILES: CC(=O)NC1=CC(=C(Br)C=C1N)C(F)(F)F

IUPAC: N-[2-amino-4-bromo-5-(trifluoromethyl)phenyl]acetamide

InChI: InChI=1S/C9H8BrF3N2O/c1-4(16)15-8-2-5(9(11,12)13)6(10)3-7(8)14/h2-3H,14H2,1H3,(H,15,16)

Composition: C (36.39%), H (2.71%), Br (26.90%), F (19.19%), N (9.43%), O (5.39%)

Molar Mass: 297.075

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.97721
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	JFFIUMYQUMQVNO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.22
Topological Polar Surface Area	55.12
Polarizability	20.75
Ring Count	1
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	157554-73-9		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02