1-benzyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

1-benzyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

CAS: 874290-98-9

Formula: C20H25BN2O3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(NC(=O)NCC2=CC=CC=C2)C=C1

IUPAC: 1-benzyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

InChI: InChI=1S/C20H25BN2O3/c1-19(2)20(3,4)26-21(25-19)16-10-12-17(13-11-16)23-18(24)22-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H2,22,23,24)

Composition: C (68.20%), H (7.15%), B (3.07%), N (7.95%), O (13.63%)

Molar Mass: 352.24

Atom Count: 51

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	352.195823
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CEICAHXVTFTLSN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.76
Topological Polar Surface Area	59.59
Polarizability	39.61
Ring Count	3
Rotatable Bond Count	4

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