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3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine

CAS: 1383675-83-9

Formula: C12H19BN2O3

SMILES: CC1(C)OB(OC1(C)C)C1=C2OCCCN2N=C1

IUPAC: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine

InChI: InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)9-8-14-15-6-5-7-16-10(9)15/h8H,5-7H2,1-4H3

Composition: C (57.63%), H (7.66%), B (4.32%), N (11.20%), O (19.19%)

Molar Mass: 250.11

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.148872
Formal Charge 0
FSP3 0.75
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey KJIVFEQWJYSIIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.23
Topological Polar Surface Area 45.51
Polarizability 26.23
Ring Count 3
Rotatable Bond Count 1

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