Name: Name:1H-Pyrazole-4-carboxylic acid, 1-(3,5-dichlorophenyl)-5-propyl-
Brand: Angene
SKU: AG0030XJ
Rating: 90 (10 reviews)

1H-Pyrazole-4-carboxylic acid, 1-(3,5-dichlorophenyl)-5-propyl-

CAS No.:

306936-60-7

Catalog Number:

AG0030XJ

Molecular Formula:

C13H12Cl2N2O2

Molecular Weight:

299.1526

Catalog Number:

AG0030XJ

Chemical Name:

1H-Pyrazole-4-carboxylic acid, 1-(3,5-dichlorophenyl)-5-propyl-

CAS Number:

306936-60-7

Molecular Formula:

C13H12Cl2N2O2

Molecular Weight:

299.1526

MDL Number:

MFCD02677727

IUPAC Name:

1-(3,5-dichlorophenyl)-5-propylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H12Cl2N2O2/c1-2-3-12-11(13(18)19)7-16-17(12)10-5-8(14)4-9(15)6-10/h4-7H,2-3H2,1H3,(H,18,19)

InChI Key:

CIAUICOJDLJNBL-UHFFFAOYSA-N

SMILES:

CCCc1c(cnn1c1cc(Cl)cc(c1)Cl)C(=O)O

Complexity:

320

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:

3.9