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102-23-8

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Basic Information
CAS No.: 102-23-8
Name: m-[(p-Aminophenyl)azo]benzenesulphonic acid
Molecular Structure:
Molecular Structure of 102-23-8 (m-[(p-Aminophenyl)azo]benzenesulphonic acid)
Formula: C12H11N3O3S
Molecular Weight: 277.304
Synonyms: m-((p-Aminophenyl)azo)benzenesulphonic acid;3-(4-aminophenyl)diazenylbenzenesulfonic acid;4-Amino-azobenzene-4'-sulfonic acid;4-Aminoazobenzene-3'-sulfonic acid;
EINECS: 203-015-2
Density: 1.43 g/cm3
Appearance: pale orange powder
PSA: 113.49000
LogP: 4.59290
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Specification

This chemical is called 3-[(4-Aminophenyl)azo]-benzenesulfonic acid, and it can also be named as m-[(p-Aminophenyl)azo]benzenesulphonic acid. With the molecular formula of C12H11N3O3S, its molecular weight is 277.30. The CAS registry number of this chemical is 102-23-8. In addition, this chemical is pale orange powder.

Other characteristics of the 3-[(4-Aminophenyl)azo]-benzenesulfonic acid can be summarised as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.44; (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: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 79.71 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 71.37 cm3; (15)Molar Volume: 192.5 cm3; (16)Polarizability: 28.29×10-24cm3; (17)Surface Tension: 62.5 dyne/cm; (18)Density: 1.43 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c2cccc(/N=N/c1ccc(N)cc1)c2
2.InChI: InChI=1/C12H11N3O3S/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)19(16,17)18/h1-8H,13H2,(H,16,17,18)/b15-14+
3.InChIKey: BATBWCBBYMPOPE-CCEZHUSRBY