Name: Name:3-(chloromethyl)-1-(4-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole
Brand: Angene
SKU: AG019XRU
Rating: 90 (10 reviews)

3-(chloromethyl)-1-(4-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole

CAS No.:

1221726-10-8

Catalog Number:

AG019XRU

Molecular Formula:

C13H12ClFN2

Molecular Weight:

250.6992

Catalog Number:

AG019XRU

Chemical Name:

3-(chloromethyl)-1-(4-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole

CAS Number:

1221726-10-8

Molecular Formula:

C13H12ClFN2

Molecular Weight:

250.6992

MDL Number:

MFCD13368206

IUPAC Name:

3-(chloromethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

InChI:

InChI=1S/C13H12ClFN2/c14-8-12-11-2-1-3-13(11)17(16-12)10-6-4-9(15)5-7-10/h4-7H,1-3,8H2

InChI Key:

VUAAAHVQNVXCOM-UHFFFAOYSA-N

SMILES:

ClCc1nn(c2c1CCC2)c1ccc(cc1)F

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.701g/mol

Monoisotopic Mass:

250.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1