Name: Name:1-(4-chloro-2-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01C3TI
Rating: 90 (10 reviews)

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

CAS No.:

1152536-23-6

Catalog Number:

AG01C3TI

Molecular Formula:

C13H10ClFN2O2

Molecular Weight:

280.6821

Catalog Number:

AG01C3TI

Chemical Name:

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

CAS Number:

1152536-23-6

Molecular Formula:

C13H10ClFN2O2

Molecular Weight:

280.6821

MDL Number:

MFCD10693942

IUPAC Name:

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

InChI:

InChI=1S/C13H10ClFN2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)

InChI Key:

AALLNSDDKGMNKD-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)F)n1nc(c2c1CCC2)C(=O)O

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