17-(2-benzoyl-4-chlorophenyl)-1-bromo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

17-(2-benzoyl-4-chlorophenyl)-1-bromo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C31H19BrClNO3

SMILES: ClC1=CC=C(N2C(=O)C3C(C2=O)C2(Br)C4=C(C=CC=C4)C3C3=C2C=CC=C3)C(=C1)C(=O)C1=CC=CC=C1

IUPAC: 17-(2-benzoyl-4-chlorophenyl)-1-bromo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C31H19BrClNO3/c32-31-22-12-6-4-10-19(22)25(20-11-5-7-13-23(20)31)26-27(31)30(37)34(29(26)36)24-15-14-18(33)16-21(24)28(35)17-8-2-1-3-9-17/h1-16,25-27H

Composition: C (65.45%), H (3.37%), Br (14.05%), Cl (6.23%), N (2.46%), O (8.44%)

Molar Mass: 568.85

Atom Count: 56

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	567.023684
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LVOREZQZQMCWHW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	145.5
Topological Polar Surface Area	54.45
Polarizability	55.76
Ring Count	7
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C31H19BrClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00