Name: Name:1-(3,4-difluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG019V2X
Rating: 90 (10 reviews)

1-(3,4-difluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS No.:

926219-23-0

Catalog Number:

AG019V2X

Molecular Formula:

C13H10F2N2O2

Molecular Weight:

264.2275

Catalog Number:

AG019V2X

Chemical Name:

1-(3,4-difluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid

CAS Number:

926219-23-0

Molecular Formula:

C13H10F2N2O2

Molecular Weight:

264.2275

MDL Number:

MFCD09043481

IUPAC Name:

1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

InChI:

InChI=1S/C13H10F2N2O2/c14-9-5-4-7(6-10(9)15)17-11-3-1-2-8(11)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)

InChI Key:

NCGNNPLZBMVISF-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2c1CCC2)c1ccc(c(c1)F)F

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.232g/mol

Monoisotopic Mass:

264.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6