methyl 12-bromo-8,8-dioxo-8??-thia-2-azatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-7-carboxylate

methyl 12-bromo-8,8-dioxo-8??-thia-2-azatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-7-carboxylate

Formula: C13H12BrNO4S

SMILES: COC(=O)C1=C2CCCN2C2=C(C=CC(Br)=C2)S1(=O)=O

IUPAC: methyl 12-bromo-8,8-dioxo-8??-thia-2-azatricyclo[7.4.0.0²,?]trideca-1(9),6,10,12-tetraene-7-carboxylate

InChI: InChI=1S/C13H12BrNO4S/c1-19-13(16)12-9-3-2-6-15(9)10-7-8(14)4-5-11(10)20(12,17)18/h4-5,7H,2-3,6H2,1H3

Composition: C (43.59%), H (3.38%), Br (22.31%), N (3.91%), O (17.87%), S (8.95%)

Molar Mass: 358.21

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	356.967042
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VXRGDRFAFXUIQI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.96
Topological Polar Surface Area	63.68
Polarizability	30.53
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H12BrNO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00