Chromium, [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)]-

Catalog Number	ACM72845717
CAS	72845-71-7
Synonyms	Chromium(3+);3-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate
Molecular Weight	468.3
Molecular Formula	C16H10CrN5O7S
Canonical SMILES	CC1=C(C(=O)N([N-]1)C2=CC=CC=C2)N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])[O-].[Cr+3]
InChI	InChI=1S/C16H13N5O7S.Cr/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;/h2-8H,1H3,(H3,17,18,19,22,23,26,27,28);/q;+3/p-3
InChI Key	NISQHFVUFSZZGU-UHFFFAOYSA-K
Purity	98%
Complexity	819
Covalently-Bonded Unit Count	2
Exact Mass	467.970599
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Monoisotopic Mass	467.970599
Rotatable Bond Count	1
Topological Polar Surface Area	181 Ų