Name: Name:2-[1-(2,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG019UDS
Rating: 90 (10 reviews)

2-[1-(2,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:

926251-37-8

Catalog Number:

AG019UDS

Molecular Formula:

C13H12Cl2N2O2

Molecular Weight:

299.1526

Catalog Number:

AG019UDS

Chemical Name:

2-[1-(2,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS Number:

926251-37-8

Molecular Formula:

C13H12Cl2N2O2

Molecular Weight:

299.1526

MDL Number:

MFCD26132036

IUPAC Name:

2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

InChI:

InChI=1S/C13H12Cl2N2O2/c1-7-10(6-13(18)19)8(2)17(16-7)12-4-3-9(14)5-11(12)15/h3-5H,6H2,1-2H3,(H,18,19)

InChI Key:

SDTRHRCHAZIBLV-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c(C)nn(c1C)c1ccc(cc1Cl)Cl

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.151g/mol

Monoisotopic Mass:

298.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4