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lithium(1+) 4-methyl-1-(pyridin-2-yl)-2,6,7-trioxa-1-borabicyclo[2.2.2]octan-1-uide

lithium(1+) 4-methyl-1-(pyridin-2-yl)-2,6,7-trioxa-1-borabicyclo[2.2.2]octan-1-uide

CAS: 1014717-10-2

Formula: C10H13BLiNO3

SMILES: [Li+].CC12CO[B-](OC1)(OC2)C1=CC=CC=N1

IUPAC: lithium(1+) 4-methyl-1-(pyridin-2-yl)-2,6,7-trioxa-1-borabicyclo[2.2.2]octan-1-uide

InChI: InChI=1S/C10H13BNO3.Li/c1-10-6-13-11(14-7-10,15-8-10)9-4-2-3-5-12-9;/h2-5H,6-8H2,1H3;/q-1;+1

Composition: C (56.40%), H (6.15%), B (5.08%), Li (3.26%), N (6.58%), O (22.54%)

Molar Mass: 212.97

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.114852
Formal Charge 0
FSP3 0.5
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KSFVHIWNJJNCHR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.94
Topological Polar Surface Area 40.58
Polarizability 21.62
Ring Count 3
Rotatable Bond Count 1

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