CAS No.132-87-6,Benzoyl J acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132-87-6
Name:	Benzoyl J acid

Formula:	C₁₇H₁₃NO₅S
Molecular Weight:	343.36
Synonyms:	1-Naphthol-3-sulfonicacid, 6-benzamido- (6CI);2-Naphthalenesulfonic acid, 7-benzamido-4-hydroxy-(8CI);2-(Benzoylamino)-5-hydroxy-7-naphthalenesulfonic acid;6-(Benzoylamino)-1-hydroxy-3-naphthalenesulfonic acid;6-Benzamido-1-naphthol-3-sulfonic acid;7-Benzamido-4-hydroxy-2-naphthalenesulfonic acid;
EINECS:	205-080-2
Density:	1.535 g/cm³
Boiling Point:	618.41℃[at 101 325 Pa]
Solubility:	149.33g/L at 25℃
PSA:	112.08000
LogP:	4.19820

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Specification

The 2-Naphthalenesulfonicacid, 7-(benzoylamino)-4-hydroxy-, with CAS registry number 132-87-6, has the systematic name of 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid. Besides this, it is also called Benzoyl J acid. And the chemical formula of this chemical is C₁₇H₁₃NO₅S.

Physical properties of 2-Naphthalenesulfonicacid, 7-(benzoylamino)-4-hydroxy-: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.27; (4)ACD/LogD (pH 7.4): -3.3; (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: 81.29 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 89.29 cm³; (15)Molar Volume: 223.6 cm³; (16)Polarizability: 35.39×10^-24cm³; (17)Surface Tension: 78.6 dyne/cm; (18)Density: 1.535 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2cc1cc(ccc1c(O)c2)NC(=O)c3ccccc3
(2)InChI: InChI=1/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
(3)InChIKey: ZLHGMJOGMLVDFS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
(5)Std. InChIKey: ZLHGMJOGMLVDFS-UHFFFAOYSA-N