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CAS No.: | 882679-23-4 |
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Name: | 2-amino-3-iodo-4-methylbenzoic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H8INO2 |
Molecular Weight: | 277.062 |
Synonyms: | 2-amino-3-iodo-4-methylbenzoic acid |
Density: | 1.943 g/cm3 |
Boiling Point: | 380.9 °C at 760 mmHg |
Flash Point: | 184.2 °C |
PSA: | 63.32000 |
LogP: | 2.46120 |
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This chemical is called Benzoic acid, 2-amino-3-iodo-4-methyl-, and its systematic name is 2-Amino-3-iodo-4-methyl-benzoic acid. With the molecular formula of C8H8INO2, its molecular weight is 277.06. The CAS registry number of this chemical is 882679-23-4.
Other characteristics of the Benzoic acid, 2-amino-3-iodo-4-methyl- can be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 0.44 ; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 63.32 Å2; (9)Index of Refraction: 1.7; (10)Molar Refractivity: 55.15 cm3; (11)Molar Volume: 142.5 cm3; (12)Polarizability: 21.86×10-24cm3; (13)Surface Tension: 67.3 dyne/cm; (14)Density: 1.943 g/cm3; (15)Flash Point: 184.2 °C; (16)Enthalpy of Vaporization: 66.36 kJ/mol; (17)Boiling Point: 380.9 °C at 760 mmHg; (18)Vapour Pressure: 1.75E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(c(c1I)N)C(=O)O
2.InChI: InChI=1/C8H8INO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,10H2,1H3,(H,11,12)
3.InChIKey: KUPHXIFBKAORGY-UHFFFAOYAZ