Name: Name:4-(trifluoromethyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
Brand: Angene
SKU: AG019KG4
Rating: 90 (10 reviews)

4-(trifluoromethyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one

CAS No.:

929975-31-5

Catalog Number:

AG019KG4

Molecular Formula:

C8H7F3N2O

Molecular Weight:

204.1492

Catalog Number:

AG019KG4

Chemical Name:

4-(trifluoromethyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one

CAS Number:

929975-31-5

Molecular Formula:

C8H7F3N2O

Molecular Weight:

204.1492

MDL Number:

MFCD09040415

IUPAC Name:

4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one

InChI:

InChI=1S/C8H7F3N2O/c9-8(10,11)6-4-2-1-3-5(4)12-13-7(6)14/h1-3H2,(H,13,14)

InChI Key:

OGPUKTLVBKZHJC-UHFFFAOYSA-N

SMILES:

O=c1[nH]nc2c(c1C(F)(F)F)CCC2

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.152g/mol

Monoisotopic Mass:

204.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8