Name: Name:ethyl 1-(4-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate
Brand: Angene
SKU: AG01C3TH
Rating: 90 (10 reviews)

ethyl 1-(4-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate

CAS No.:

1909317-05-0

Catalog Number:

AG01C3TH

Molecular Formula:

C15H14ClFN2O2

Molecular Weight:

308.7353

Catalog Number:

AG01C3TH

Chemical Name:

ethyl 1-(4-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate

CAS Number:

1909317-05-0

Molecular Formula:

C15H14ClFN2O2

Molecular Weight:

308.7353

MDL Number:

MFCD29906849

IUPAC Name:

ethyl 1-(4-chloro-2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

InChI:

InChI=1S/C15H14ClFN2O2/c1-2-21-15(20)14-10-4-3-5-12(10)19(18-14)13-7-6-9(16)8-11(13)17/h6-8H,2-5H2,1H3

InChI Key:

IBCWMJSKCUPBIK-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nn(c2c1CCC2)c1ccc(cc1F)Cl

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

308.737g/mol

Monoisotopic Mass:

308.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9