2-{2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile

2-{2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile

Formula: C15H13N3O4

SMILES: CN1C(=O)N(C)C(=O)C(=CC2=CC=CC=C2OCC#N)C1=O

IUPAC: 2-{2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}acetonitrile

InChI: InChI=1S/C15H13N3O4/c1-17-13(19)11(14(20)18(2)15(17)21)9-10-5-3-4-6-12(10)22-8-7-16/h3-6,9H,8H2,1-2H3

Composition: C (60.20%), H (4.38%), N (14.04%), O (21.38%)

Molar Mass: 299.286

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.090605911
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	VRXSNCGAOVDXCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.44
Topological Polar Surface Area	90.71
Polarizability	29.02
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H13N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00