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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 | Hazard Symbols | N/A | |
Synonyms |
NSC 65884; |
Article Data | 2 |
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