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Basic Information
CAS No.: 101-57-5
Name: DIPHENYLAMINE SULFONIC ACID
Molecular Structure:
Molecular Structure of 101-57-5 (DIPHENYLAMINE SULFONIC ACID)
Formula: C12H11NO3S
Molecular Weight: 249.29
Synonyms: Sulfanilicacid, N-phenyl- (7CI,8CI);4-Anilinobenzenesulfonic acid;4-Sulfodiphenylamine;Diphenylamine-4-sulfonic acid;Diphenylamine-p-sulfonic acid;N-Phenyl-p-aminobenzenesulfonic acid;N-Phenylsulfanilic acid;NSC 163911;NSC73722;p-Anilinobenzenesulfonic acid;p-Sulfodiphenylamine;
EINECS: 202-955-0
Density: 1.398 g/cm3
Melting Point: 206°C
PSA: 74.78000
LogP: 3.83070
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Specification

The Benzenesulfonic acid,4-(phenylamino)-, with the CAS registry number 101-57-5, is also known as 4-Diphenylaminesulfonic acid. This chemical's molecular formula is C12H11NO3S and molecular weight is 249.29. What's more, its systematic name is 4-(phenylamino)benzenesulfonic acid.

Physical Benzenesulfonic acid,4-(phenylamino)- are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -1.58; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 65.46 cm3; (15)Molar Volume: 178.2 cm3; (16)Polarizability: 25.95 × 10-24 cm3; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.398 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=S(=O)(O)c2ccc(Nc1ccccc1)cc2
(2)InChI: InChI=1/C12H11NO3S/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H,(H,14,15,16)
(3)InChIKey: HYKDWGUFDOYDGV-UHFFFAOYAP