3-methyl-4-(morpholin-4-yl)phenylboronic acid

3-methyl-4-(morpholin-4-yl)phenylboronic acid

CAS: 1426245-63-7

Formula: C11H16BNO3

SMILES: CC1=CC(=CC=C1N1CCOCC1)B(O)O

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

InChI: InChI=1S/C11H16BNO3/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13/h2-3,8,14-15H,4-7H2,1H3

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	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SPIHCTVLDYDVCE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.15
Topological Polar Surface Area	52.93
Polarizability	23.77
Ring Count	2
Rotatable Bond Count	2

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