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CAS No.: | 3260-89-7 |
---|---|
Name: | 2-chloro-6-methoxybenzoic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H7ClO3 |
Molecular Weight: | 186.595 |
Synonyms: | 2-Chloro-6-methoxybenzoic acid; |
EINECS: | 221-863-1 |
Density: | 1.352 g/cm3 |
Melting Point: | 141 °C |
Boiling Point: | 304.6 °C at 760 mmHg |
Flash Point: | 138 °C |
PSA: | 46.53000 |
LogP: | 2.04680 |
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This chemical is called 2-chloro-6-methoxy-benzoic acid, and its systematic name is 2-chloro-6-methoxybenzoic acid. With the molecular formula of C8H7ClO3. The CAS registry number of this chemical is 3260-89-7.
Other characteristics of the 2-chloro-6-methoxy-benzoic acid can be summarised as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -1.26; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 44.75 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 17.74×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 138 °C; (20)Enthalpy of Vaporization: 57.54 kJ/mol; (21)Boiling Point: 304.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00038 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(OC)cccc1Cl
2.InChI: InChI=1/C8H7ClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
3.InChIKey: JUOHBAJZQDTICO-UHFFFAOYAA
4.Std. InChI: InChI=1S/C8H7ClO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
5.Std. InChIKey: JUOHBAJZQDTICO-UHFFFAOYSA-N