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62524-21-4

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Basic Information
CAS No.: 62524-21-4
Name: 3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE
Article Data: 11
Molecular Structure:
Molecular Structure of 62524-21-4 (3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE)
Formula: C9H7ClN2OS
Molecular Weight: 226.686
Synonyms: 3-Chloro-benzo[b]thiophene-2-carboxylic acid hydrazide;
Density: 1.486 g/cm3
Melting Point: 181 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 26-37/39
PSA: 83.36000
LogP: 3.24940
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Specification

The Benzo[b]thiophene-2-carboxylicacid, 3-chloro-, hydrazide, with the CAS registry number 62524-21-4, is also known as 3-Chloro-benzo[b]thiophene-2-carboxylic acid hydrazide. This chemical's molecular formula is C9H7ClN2OS and molecular weight is 226.68. What's more, its IUPAC name is 3-Chloro-1-benzothiophene-2-carbohydrazide. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzo[b]thiophene-2-carboxylicacid, 3-chloro-, hydrazide are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.12; (6)ACD/BCF (pH 7.4): 33.16; (7)ACD/KOC (pH 5.5): 426.16; (8)ACD/KOC (pH 7.4): 426.61; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 59.9 cm3; (15)Molar Volume: 152.4 cm3; (16)Polarizability: 23.74×10-24 cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.486 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2ccccc2sc1C(=O)NN
(2) InChI: InChI=1/C9H7ClN2OS/c10-7-5-3-1-2-4-6(5)14-8(7)9(13)12-11/h1-4H,11H2,(H,12,13)
(3) InChIKey: HSEDHPBSCKIDQU-UHFFFAOYAB