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

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

CAS: 874290-99-0

Formula: C14H21BN2O3

SMILES: CNC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5/h6-9H,1-5H3,(H2,16,17,18)

Composition: C (60.89%), H (7.67%), B (3.91%), N (10.14%), O (17.38%)

Molar Mass: 276.14

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.164523
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MRHQTDZUJNAZGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.15
Topological Polar Surface Area	59.59
Polarizability	30.01
Ring Count	2
Rotatable Bond Count	2

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