2-(4-bromophenyl)-2-oxoethyl adamantane-1-carboxylate

2-(4-bromophenyl)-2-oxoethyl adamantane-1-carboxylate

Formula: C19H21BrO3

SMILES: BrC1=CC=C(C=C1)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2

IUPAC: 2-(4-bromophenyl)-2-oxoethyl adamantane-1-carboxylate

InChI: InChI=1S/C19H21BrO3/c20-16-3-1-15(2-4-16)17(21)11-23-18(22)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2

Composition: C (60.49%), H (5.61%), Br (21.18%), O (12.72%)

Molar Mass: 377.278

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	376.067408
Formal Charge	0
FSP3	0.58
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RXVOHWHHDCOHBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.68
Topological Polar Surface Area	43.37
Polarizability	35.67
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21BrO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00