CAS 107228-51-3

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Also known as: 107228-51-3, 3,6-dichloro-4-propan-2-ylpyridazine, Pyridazine, 3,6-dichloro-4-(1-methylethyl)-, Mfcd18250571, Schembl1189830, Jrzdbbcbiqejla-uhfffaoysa-n

Molecular Formula

C₇H₈Cl₂N₂

Molecular Weight

191.05 g/mol

InChI Key

JRZDBBCBIQEJLA-UHFFFAOYSA-N

1 2D Structure

CAS 107228-51-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,6-dichloro-4-propan-2-ylpyridazine

2.1.2 InChI

InChI=1S/C7H8Cl2N2/c1-4(2)5-3-6(8)10-11-7(5)9/h3-4H,1-2H3

2.1.3 InChI Key

JRZDBBCBIQEJLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C1=CC(=NN=C1Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 107228-51-3

2. 3,6-dichloro-4-propan-2-ylpyridazine

3. Pyridazine, 3,6-dichloro-4-(1-methylethyl)-

4. Mfcd18250571

5. Schembl1189830

6. Jrzdbbcbiqejla-uhfffaoysa-n

7. 3,6-dichloro-4-isopropyl-pyridazin

8. 3,6-dichloro-4-isopropyl Pyridazine

9. 3,6-dichloro-4-isopropyl-pyridazine

10. Akos017516485

11. Ab73251

12. Sb17930

13. Bs-43144

14. Sy260999

15. Cs-0056804

16. F52597

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₇H₈Cl₂N₂
Molecular Weight	191.05 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	25.8
Heavy Atom Count	11
Formal Charge	0
Complexity	130
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