6-methyl-2-(naphthalen-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

6-methyl-2-(naphthalen-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

CAS: 1356823-19-2

Formula: C15H14BNO4

SMILES: CN1CC(=O)OB(OC(=O)C1)C1=CC2=CC=CC=C2C=C1

IUPAC: 6-methyl-2-(naphthalen-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione

InChI: InChI=1S/C15H14BNO4/c1-17-9-14(18)20-16(21-15(19)10-17)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9-10H2,1H3

Composition: C (63.64%), H (4.98%), B (3.82%), N (4.95%), O (22.61%)

Molar Mass: 283.09

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	283.101588
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IBHKLPUIBULVIU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.23
Topological Polar Surface Area	55.84
Polarizability	31.33
Ring Count	3
Rotatable Bond Count	1

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