3-[(tert-butoxycarbonyl)(methyl)amino]phenylboronic acid

3-[(tert-butoxycarbonyl)(methyl)amino]phenylboronic acid

CAS: 887831-90-5

Formula: C12H18BNO4

SMILES: CN(C(=O)OC(C)(C)C)C1=CC=CC(=C1)B(O)O

IUPAC: (3-{[(tert-butoxy)carbonyl](methyl)amino}phenyl)boronic acid

InChI: InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14(4)10-7-5-6-9(8-10)13(16)17/h5-8,16-17H,1-4H3

Composition: C (57.40%), H (7.23%), B (4.31%), N (5.58%), O (25.49%)

Molar Mass: 251.09

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	251.132888
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QFRSVPDEEDBLOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.01
Topological Polar Surface Area	70
Polarizability	26.48
Ring Count	1
Rotatable Bond Count	4

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