3-(morpholine-4-carbonyl)-5-nitrophenylboronic acid

3-(morpholine-4-carbonyl)-5-nitrophenylboronic acid

CAS: 871332-80-8

Formula: C11H13BN2O6

SMILES: OB(O)C1=CC(=CC(=C1)[N+]([O-])=O)C(=O)N1CCOCC1

IUPAC: [3-(morpholine-4-carbonyl)-5-nitrophenyl]boronic acid

InChI: InChI=1S/C11H13BN2O6/c15-11(13-1-3-20-4-2-13)8-5-9(12(16)17)7-10(6-8)14(18)19/h5-7,16-17H,1-4H2

Composition: C (47.18%), H (4.68%), B (3.86%), N (10.00%), O (34.28%)

Molar Mass: 280.04

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.086666
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	GKGNPJBVECYLOT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.87
Topological Polar Surface Area	113.14
Polarizability	25.72
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	871332-80-8		$51.70-$399.74$51.70$133.67$399.74