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4-{[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

4-{[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

CAS: 2096337-89-0

Formula: C17H25BClNO3

SMILES: CC1(C)OB(OC1(C)C)C1=C(CN2CCOCC2)C(Cl)=CC=C1

IUPAC: 4-{[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

InChI: InChI=1S/C17H25BClNO3/c1-16(2)17(3,4)23-18(22-16)14-6-5-7-15(19)13(14)12-20-8-10-21-11-9-20/h5-7H,8-12H2,1-4H3

Composition: C (60.47%), H (7.46%), B (3.20%), Cl (10.50%), N (4.15%), O (14.21%)

Molar Mass: 337.65

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 337.161601
Formal Charge 0
FSP3 0.65
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PYDIRZUVMFNSLS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.14
Topological Polar Surface Area 30.93
Polarizability 36.56
Ring Count 3
Rotatable Bond Count 3

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