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CAS No.: | 119205-39-9 |
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Name: | Sodium 2-phenylindole-5-sulfonate |
Molecular Structure: | |
Formula: | C14H10NNaO3S |
Molecular Weight: | 295.29 |
Synonyms: | 1H-Indole-5-sulfonicacid, 2-phenyl-, monosodium salt (9CI); |
Appearance: | White to chocolate brown, sensitive to moisture |
PSA: | 81.37000 |
LogP: | 3.81980 |
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The 1H-Indole-5-sulfonicacid, 2-phenyl-, sodium salt (1:1), with the CAS registry number 119205-39-9, is also known as 1H-Indole-5-sulfonic acid, 2-phenyl-, monosodium salt. This chemical's molecular formula is C14H10NNaO3S and molecular weight is 295.29. Its IUPAC name is called sodium 2-phenyl-1H-indole-5-sulfonate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties of 1H-Indole-5-sulfonicacid, 2-phenyl-, sodium salt (1:1): (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 3; (3)Rotatable Bond Count: 2; (4)Exact Mass: 295.027909; (5)MonoIsotopic Mass: 295.027909; (6)Topological Polar Surface Area: 81.4; (7)Heavy Atom Count: 20; (8)Formal Charge: 0; (9)Complexity: 417; (10)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)[O-].[Na+]
(2)InChI: InChI=1S/C14H11NO3S.Na/c16-19(17,18)12-6-7-13-11(8-12)9-14(15-13)10-4-2-1-3-5-10;/h1-9,15H,(H,16,17,18);/q;+1/p-1
(3)InChIKey: OZUOUVQBVVZVRG-UHFFFAOYSA-M