4-(3-bromo-4-methylphenyl)-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-(3-bromo-4-methylphenyl)-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

Formula: C16H14BrNO2

SMILES: CC1=CC=C(C=C1Br)N1C(=O)C2C3CC(C=C3)C2C1=O

IUPAC: 4-(3-bromo-4-methylphenyl)-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C16H14BrNO2/c1-8-2-5-11(7-12(8)17)18-15(19)13-9-3-4-10(6-9)14(13)16(18)20/h2-5,7,9-10,13-14H,6H2,1H3

Composition: C (57.85%), H (4.25%), Br (24.05%), N (4.22%), O (9.63%)

Molar Mass: 332.197

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	331.020792
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TWYXEEWTKWYRLB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.98
Topological Polar Surface Area	37.38
Polarizability	30.3
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14BrNO2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00