2-(diethylcarbamoyl)phenylboronic acid

2-(diethylcarbamoyl)phenylboronic acid

CAS: 129112-21-6

Formula: C11H16BNO3

SMILES: CCN(CC)C(=O)C1=CC=CC=C1B(O)O

IUPAC: [2-(diethylcarbamoyl)phenyl]boronic acid

InChI: InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-8,15-16H,3-4H2,1-2H3

Composition: C (59.77%), H (7.30%), B (4.89%), N (6.34%), O (21.71%)

Molar Mass: 221.06

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.122323
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	TULUDWZVHWOWHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.97
Topological Polar Surface Area	60.77
Polarizability	23.73
Ring Count	1
Rotatable Bond Count	4

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