2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

Formula: C18H13BrN2O

SMILES: BrC1=CC=C(C=C1)C(=O)CC(C(C#N)C#N)C1=CC=CC=C1

IUPAC: 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile

InChI: InChI=1/C18H13BrN2O/c19-16-8-6-14(7-9-16)18(22)10-17(15(11-20)12-21)13-4-2-1-3-5-13/h1-9,15,17H,10H2

Composition: C (61.21%), H (3.71%), Br (22.62%), N (7.93%), O (4.53%)

Molar Mass: 353.219

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	352.021126
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ORVQHQURHYOVKW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.47
Topological Polar Surface Area	64.65
Polarizability	33.43
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H13BrN2O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00