2-{[(tert-butoxycarbonyl)(methyl)amino]methyl}phenylboronic acid

2-{[(tert-butoxycarbonyl)(methyl)amino]methyl}phenylboronic acid

Formula: C13H20BNO4

SMILES: CN(CC1=CC=CC=C1B(O)O)C(=O)OC(C)(C)C

IUPAC: [2-({[(tert-butoxy)carbonyl](methyl)amino}methyl)phenyl]boronic acid

InChI: InChI=1S/C13H20BNO4/c1-13(2,3)19-12(16)15(4)9-10-7-5-6-8-11(10)14(17)18/h5-8,17-18H,9H2,1-4H3

Composition: C (58.90%), H (7.60%), B (4.08%), N (5.28%), O (24.14%)

Molar Mass: 265.12

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.148538
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QKFSFQDGSGTXEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.85
Topological Polar Surface Area	70
Polarizability	28.33
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H20BNO4		Quote Only