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1134-00-5

Basic Information
CAS No.: 1134-00-5
Name: 2-Benzofurancarboxylicacid, 5-chloro-3-methyl-
Molecular Structure:
Molecular Structure of 1134-00-5 (2-Benzofurancarboxylicacid, 5-chloro-3-methyl-)
Formula: C10H7ClO3
Molecular Weight: 210.6138
Synonyms: 2-Benzofurancarboxylicacid, 5-chloro-3-Methyl-
EINECS:
Density: 1.431 g/cm3
Melting Point:
Boiling Point: 362.8 °C at 760 mmHg
Flash Point: 173.2 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 50.44000
LogP: 3.09280
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Specification

The 2-Benzofurancarboxylicacid, 5-chloro-3-methyl-, with the CAS registry number of 1134-00-5, is also known as 5-Chloro-3-methylbenzo[b]furan-2-carboxylic acid. This chemical's molecular formula is C10H7ClO3 and molecular weight is 210.6138. What's more, its systematic name is 5-Chloro-3-methyl-1-benzofuran-2-carboxylic acid.

Physical properties about 2-Benzofurancarboxylicacid, 5-chloro-3-methyl- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.63; (8)ACD/KOC (pH 7.4): 1.32; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 53.04 cm3; (15)Molar Volume: 147 cm3; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.431 g/cm3; (18)Flash Point: 173.2 °C; (19)Enthalpy of Vaporization: 64.23 kJ/mol; (20)Boiling Point: 362.8 °C at 760 mmHg; (21)Vapour Pressure: 6.74E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(oc(c1C)C(=O)O)cc2
(2) InChI: InChI=1/C10H7ClO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)
(3) InChIKey: QEYMIQBZTUQKAC-UHFFFAOYAA