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87796-18-7

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Basic Information
CAS No.: 87796-18-7
Name: 9,10-Dibromoanthracene-2-sulfonic Acid, Sodium Salt
Molecular Structure:
Molecular Structure of 87796-18-7 (9,10-Dibromoanthracene-2-sulfonic Acid, Sodium Salt)
Formula: C14H8Br2O3S.Na
Molecular Weight: 439.07
Synonyms: 2-Anthracenesulfonicacid, 9,10-dibromo-, sodium salt (9CI);Sodium 9,10-dibromoanthracene-2-sulfonate;
PSA: 65.58000
LogP: 5.50290
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Specification

This chemical is called 9,10-Dibromo-2-anthracenesulfonic acid sodium salt, and its IUPAC name is sodium 9,10-dibromoanthracene-2-sulfonic acid. With the molecular formula of C14H8Br2O3S.Na, its molecular weight is 439.07. The CAS registry number of this chemical is 87796-18-7. Additionally, its product categories are Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds.

Other characteristics of the 9,10-Dibromo-2-anthracenesulfonic acid sodium salt can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 51.75 Å2; (5)Rotatable Bond Count: 1; (6)Exact Mass: 438.843813; (7)MonoIsotopic Mass: 436.84586; (8)Topological Polar Surface Area: 62.8; (9)Heavy Atom Count: 21; (10)Formal Charge: 1; (11)Complexity: 462; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure: 
1.SMILES: c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)O[Na])Br
2.InChI: InChI=1/C14H8Br2O3S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1/rC14H7Br2NaO3S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(5-6-11(12)13)21(18,19)20-17/h1-7H
3.InChIKey: NTROERCWCLTJJW-IWKMJWPWAJ