4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile

4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile

CAS: 1884492-36-7

Formula: C12H11BN2O4

SMILES: CN1CC(=O)OB(OC(=O)C1)C1=CC=C(C=C1)C#N

IUPAC: 4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzonitrile

InChI: InChI=1S/C12H11BN2O4/c1-15-7-11(16)18-13(19-12(17)8-15)10-4-2-9(6-14)3-5-10/h2-5H,7-8H2,1H3

Composition: C (55.86%), H (4.30%), B (4.19%), N (10.86%), O (24.80%)

Molar Mass: 258.04

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.081187
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GSZJATWIBFKRFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.5
Topological Polar Surface Area	79.63
Polarizability	25.69
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1884492-36-7		$25.13-$98.33$25.13$32.78$51.35$63.37$86.31$98.33