Name: Name:2-[1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid
Brand: Angene
SKU: AG01ABVD
Rating: 90 (10 reviews)

2-[1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid

CAS No.:

1094331-77-7

Catalog Number:

AG01ABVD

Molecular Formula:

C11H9ClN2O3

Molecular Weight:

252.6538

Catalog Number:

AG01ABVD

Chemical Name:

2-[1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid

CAS Number:

1094331-77-7

Molecular Formula:

C11H9ClN2O3

Molecular Weight:

252.6538

MDL Number:

MFCD11133571

IUPAC Name:

2-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]acetic acid

InChI:

InChI=1S/C11H9ClN2O3/c12-7-2-1-3-9(4-7)14-10(15)5-8(13-14)6-11(16)17/h1-4H,5-6H2,(H,16,17)

InChI Key:

DXTRNHVUIUBASS-UHFFFAOYSA-N

SMILES:

OC(=O)CC1=NN(C(=O)C1)c1cccc(c1)Cl

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.654g/mol

Monoisotopic Mass:

252.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6