ethyl 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate

ethyl 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate

CAS: 102414-22-2

Formula: C17H16BrNO3

SMILES: CCOC(=O)CC1=C(N)C(=CC=C1)C(=O)C1=CC=C(Br)C=C1

IUPAC: ethyl 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetate

InChI: InChI=1S/C17H16BrNO3/c1-2-22-15(20)10-12-4-3-5-14(16(12)19)17(21)11-6-8-13(18)9-7-11/h3-9H,2,10,19H2,1H3

Composition: C (56.37%), H (4.45%), Br (22.06%), N (3.87%), O (13.25%)

Molar Mass: 362.223

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	361.031356
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MLBAFRHKOXZRGK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.78
Topological Polar Surface Area	69.39
Polarizability	34
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	102414-22-2		$80.58-$924.12$80.58$118.32$289.68$533.46$924.12