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26264-09-5

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Basic Information
CAS No.: 26264-09-5
Name: chlorobenzoic acid
Molecular Structure:
Molecular Structure of 26264-09-5 (chlorobenzoic acid)
Formula: C7H5ClO2
Molecular Weight: 156.5664
Synonyms: Chlorobenzoicacid;
EINECS: 247-558-3
Density: 1.374 g/cm3
Boiling Point: 281.3 °C at 760 mmHg
Flash Point: 123.9 °C
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Specification

The Benzoic acid, chloro- is an organic compound with the formula C7H5ClO2. The IUPAC name of this chemical is 3-chlorobenzoic acid. With the CAS registry number 26264-09-5, it is also named as m-Chlorobenzoic acid.

Physical properties about Benzoic acid, chloro- are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 2.05; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.59; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 38.07 cm3; (14)Molar Volume: 113.9 cm3; (15)Polarizability: 15.09×10-24cm3; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.374 g/cm3; (18)Flash Point: 123.9 °C; (19)Enthalpy of Vaporization: 54.93 kJ/mol; (20)Boiling Point: 281.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(Cl)ccc1
(2)InChI: InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
(3)InChIKey: LULAYUGMBFYYEX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
(5)Std. InChIKey: LULAYUGMBFYYEX-UHFFFAOYSA-N