Name: Name:1-(3-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01C45Y
Rating: 90 (10 reviews)

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

CAS No.:

1038738-53-2

Catalog Number:

AG01C45Y

Molecular Formula:

C13H10ClFN2O2

Molecular Weight:

280.6821

Catalog Number:

AG01C45Y

Chemical Name:

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

CAS Number:

1038738-53-2

Molecular Formula:

C13H10ClFN2O2

Molecular Weight:

280.6821

MDL Number:

MFCD12559986

IUPAC Name:

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

InChI:

InChI=1S/C13H10ClFN2O2/c14-8-4-2-6-10(11(8)15)17-9-5-1-3-7(9)12(16-17)13(18)19/h2,4,6H,1,3,5H2,(H,18,19)

InChI Key:

ZLYDWQYJOMPLSW-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn(c2c1CCC2)c1cccc(c1F)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