AC1MI5C2

calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate

Also Known As: EINECS 266-660-9|Calcium 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzoate|Calcium 2-((3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoate|calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate|Calcium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl]azo]benzoate|Benzoic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-, calcium salt (1:1)|Benzoic acid, 2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)|Calcium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate

Molecular Formula	C17H12CaN4O6S
Molecular Weight	440.01035 g/mol
LogP	0.4484
Topological Polar Surface Area	154.72 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	440.01035
Monoisotopic Mass	440.01035
Heavy Atoms	29
Complexity	1114.9979

Chemical Identifiers

CAS Number	67355-35-5
SMILES	CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Ca+2]