CAS No.114607-46-4,Acitazanolast Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114607-46-4
Name:	Acitazanolast
Article Data:	2

Formula:	C₉H₇N₅O₃
Molecular Weight:	233.19
Synonyms:	Aceticacid, oxo[[3-(1H-tetrazol-5-yl)phenyl]amino]- (9CI);3'-(1H-Tetrazol-5-yl)oxanilic acid;Acitazanolast;WP 871;Zepelin(bronchodilator);
Density:	1.66 g/cm³
Melting Point:	241-243 °C (decomp)
PSA:	120.86000
LogP:	-0.03720

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Specification

This chemical is called Acetic acid, 2-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]amino]-, and its systematic name is oxo{[3-(2H-tetrazol-5-yl)phenyl]amino}acetic acid. With the molecular formula of C₉H₇N₅O₃, its molecular weight is 233.19. The CAS registry number of this chemical is 114607-46-4.

Other characteristics of the Acetic acid, 2-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]amino]- can be summarised as followings: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.04; (4)ACD/LogD (pH 7.4): -4.45; (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: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 90.21 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 55.38 cm³; (15)Molar Volume: 140.4 cm³; (16)Polarizability: 21.95×10^-24cm³; (17)Surface Tension: 103.8 dyne/cm; (18)Density: 1.66 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(=O)Nc1cccc(c1)c2nnnn2
2.InChI: InChI=1/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKey:
VWQZJJZGISNFOE-UHFFFAOYAS