4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid

4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid

CAS: 1031263-33-8

Formula: C16H20BrNO3

SMILES: OC(=O)C(CC(=O)C1=CC=C(Br)C=C1)NC1CCCCC1

IUPAC: 4-(4-bromophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid

InChI: InChI=1/C16H20BrNO3/c17-12-8-6-11(7-9-12)15(19)10-14(16(20)21)18-13-4-2-1-3-5-13/h6-9,13-14,18H,1-5,10H2,(H,20,21)

Composition: C (54.25%), H (5.69%), Br (22.56%), N (3.95%), O (13.55%)

Molar Mass: 354.244

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	353.062657
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HYLOXIKFRSIGLF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.76
Topological Polar Surface Area	66.4
Polarizability	32.9
Ring Count	2
Rotatable Bond Count	6

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90%	<2 Days	1031263-33-8		$51.35-$524.40$51.35$63.37$86.31$524.40