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Also known as: 1825352-86-0, 2,8-dimethylimidazo[1,2-b]pyridazine-6-boronic acid pinacol ester, Mfcd31556434, Tqr0467, Ps-17043, Sy277227
Molecular Formula
C14H20BN3O2
Molecular Weight
273.14  g/mol
InChI Key
UCBLAGDTLLXGNA-UHFFFAOYSA-N

CAS 1825352-86-0
1 2D Structure

CAS 1825352-86-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazine
2.1.2 InChI
InChI=1S/C14H20BN3O2/c1-9-7-11(17-18-8-10(2)16-12(9)18)15-19-13(3,4)14(5,6)20-15/h7-8H,1-6H3
2.1.3 InChI Key
UCBLAGDTLLXGNA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN3C=C(N=C3C(=C2)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1825352-86-0

2. 2,8-dimethylimidazo[1,2-b]pyridazine-6-boronic Acid Pinacol Ester

3. Mfcd31556434

4. Tqr0467

5. Ps-17043

6. Sy277227

7. Cs-0097600

2.3 Create Date
2017-01-25
3 Chemical and Physical Properties
Molecular Weight 273.14 g/mol
Molecular Formula C14H20BN3O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area48.6
Heavy Atom Count20
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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