Name: Name:1-(4-chloro-3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01C46N
Rating: 90 (10 reviews)

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

CAS No.:

1275532-60-9

Catalog Number:

AG01C46N

Molecular Formula:

C13H10ClFN2O2

Molecular Weight:

280.6821

Catalog Number:

AG01C46N

Chemical Name:

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

CAS Number:

1275532-60-9

Molecular Formula:

C13H10ClFN2O2

Molecular Weight:

280.6821

MDL Number:

MFCD30497939

IUPAC Name:

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

InChI:

InChI=1S/C13H10ClFN2O2/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:

SSFYDYAZZVNIAD-UHFFFAOYSA-N

SMILES:

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

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.683g/mol

Monoisotopic Mass:

280.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2