2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 380430-64-8

Formula: C13H16BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)N=C=O

IUPAC: 2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-7-11(8-6-10)15-9-16/h5-8H,1-4H3

Composition: C (63.71%), H (6.58%), B (4.41%), N (5.72%), O (19.58%)

Molar Mass: 245.09

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.122323
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	RHKRIDVZGAXYQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.79
Topological Polar Surface Area	47.89
Polarizability	26.31
Ring Count	2
Rotatable Bond Count	2

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