CAS 1825352-86-0

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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

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 Formula	C₁₄H₂₀BN₃O₂
Molecular Weight	273.14 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	48.6
Heavy Atom Count	20
Formal Charge	0
Complexity	375
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1