2-{5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

2-{5'-chloro-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

Formula: C13H11ClN2O3

SMILES: ClC1=CC=C2N(CC#N)C(=O)C3(OCCCO3)C2=C1

IUPAC: 2-{5'-chloro-2'-oxo-1',2'-dihydrospiro[1,3-dioxane-2,3'-indol]-1'-yl}acetonitrile

InChI: InChI=1S/C13H11ClN2O3/c14-9-2-3-11-10(8-9)13(18-6-1-7-19-13)12(17)16(11)5-4-15/h2-3,8H,1,5-7H2

Composition: C (56.03%), H (3.98%), Cl (12.72%), N (10.05%), O (17.22%)

Molar Mass: 278.69

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.0458199
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	KVOPUQZNEYKNGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.85
Topological Polar Surface Area	62.56
Polarizability	26.15
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11ClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00