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4-(morpholin-4-ylmethyl)phenylboronic acid

4-(morpholin-4-ylmethyl)phenylboronic acid

CAS: 279262-23-6

Formula: C11H16BNO3

SMILES: OB(O)C1=CC=C(CN2CCOCC2)C=C1

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

InChI: InChI=1S/C11H16BNO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2

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 QPFDUULIDNELSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.22
Topological Polar Surface Area 52.93
Polarizability 24.23
Ring Count 2
Rotatable Bond Count 3

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