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859961-96-9

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Basic Information
CAS No.: 859961-96-9
Name: N-(2-Naphthyl)sulfanilic acid
Molecular Structure:
Molecular Structure of 859961-96-9 (N-(2-Naphthyl)sulfanilic acid)
Formula: C16H13NO3S
Molecular Weight: 299.34
Synonyms: Sulfanilicacid, N-(2-naphthyl)- (1CI);N-(2-Naphthyl)sulfanilic acid;
Density: 1.409 g/cm3
PSA: 74.78000
LogP: 4.98390
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Specification

The N-(2-Naphthyl)sulfanilic acid with the CAS number 859961-96-9 is also called Benzenesulfonic acid,4-(2-naphthalenylamino)-. The systematic name is 4-(naphthalen-2-ylamino)benzenesulfonic acid. Its molecular formula is C16H13NO3S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 74.78 Å2; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 83.01 cm3; (13)Molar Volume: 212.3 cm3; (14)Polarizability: 32.91×10-24cm3; (15)Surface Tension: 66 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: OS(=O)(=O)c3ccc(Nc1ccc2ccccc2c1)cc3
(2)InChI: InChI=1/C16H13NO3S/c18-21(19,20)16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17H,(H,18,19,20)
(3)InChIKey: NREPNHDVTUIDQF-UHFFFAOYAZ