Name: Name:2-(3-chlorophenyl)-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one
Brand: Angene
SKU: AG01AUJE
Rating: 90 (10 reviews)

2-(3-chlorophenyl)-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one

CAS No.:

1249612-44-9

Catalog Number:

AG01AUJE

Molecular Formula:

C12H11ClN2O

Molecular Weight:

234.6815

Catalog Number:

AG01AUJE

Chemical Name:

2-(3-chlorophenyl)-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one

CAS Number:

1249612-44-9

Molecular Formula:

C12H11ClN2O

Molecular Weight:

234.6815

MDL Number:

MFCD14653679

IUPAC Name:

2-(3-chlorophenyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

InChI:

InChI=1S/C12H11ClN2O/c13-8-3-1-4-9(7-8)15-12(16)10-5-2-6-11(10)14-15/h1,3-4,7,10H,2,5-6H2

InChI Key:

ZHJFENNMPNDNBM-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)N1N=C2C(C1=O)CCC2

Complexity:

342

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.683g/mol

Monoisotopic Mass:

234.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4