3-bromo-5-(morpholin-4-yl)phenylboronic acid

3-bromo-5-(morpholin-4-yl)phenylboronic acid

CAS: 1256355-10-8

Formula: C10H13BBrNO3

SMILES: OB(O)C1=CC(Br)=CC(=C1)N1CCOCC1

IUPAC: [3-bromo-5-(morpholin-4-yl)phenyl]boronic acid

InChI: InChI=1S/C10H13BBrNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2

Composition: C (42.01%), H (4.58%), B (3.78%), Br (27.95%), N (4.90%), O (16.79%)

Molar Mass: 285.93

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.017186
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UWNLKBOIZQUEHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.73
Topological Polar Surface Area	52.93
Polarizability	24.87
Ring Count	2
Rotatable Bond Count	2

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