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Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonicacid

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Name

Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonicacid

EINECS 201-523-9
CAS No. 84-23-1 Density 1.671 g/cm3
PSA 101.67000 LogP 2.70350
Solubility N/A Melting Point N/A
Formula C10H6N2O4S Boiling Point N/A
Molecular Weight 250.235 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84-23-1 (naphth[1,2-d][1,2,3]oxadiazole-5-sulphonic acid) Hazard Symbols N/A
Synonyms

NSC 65884;

Article Data 2

Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonicacid Specification

The Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonicacid, with the CAS registry number 84-23-1, is also known as Naphtho[1,2-d][1,2,3]oxadiazole-5-sulfonic acid. Its EINECS registry number is 201-523-9. This chemical's molecular formula is C10H6N2O4S and molecular weight is 250.23064. What's more, its systematic name is Benzo[e][1,2,3]benzoxadiazole-5-sulfonic acid.

Physical properties about Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonicacid are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -2.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 90.67 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 60.29 cm3; (15)Molar Volume: 149.6 cm3; (16)Surface Tension: 86.4 dyne/cm; (17)Density: 1.671 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c2c1ccccc1c3nnoc3c2
(2) InChI: InChI=1/C10H6N2O4S/c13-17(14,15)9-5-8-10(11-12-16-8)7-4-2-1-3-6(7)9/h1-5H,(H,13,14,15)
(3) InChIKey: WHHIIGNOLGKQPD-UHFFFAOYAT

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