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Name |
Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester |
EINECS | N/A |
CAS No. | 65977-12-0 | Density | 1.436 g/cm3 |
PSA | 44.76000 | LogP | 2.25290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11BrO4 | Boiling Point | 340.658 °C at 760 mmHg |
Molecular Weight | 275.099 | Flash Point | 159.824 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 3-bromo-2,6-dimethoxybenzoate; |
The Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester has the CAS registry number 65977-12-0. This chemical's molecular formula is C10H11BrO4 and molecular weight is 275.10. What's more, its systematic name is Methyl 3-bromo-2,6-dimethoxybenzoate.
Physical properties of Benzoicacid, 3-bromo-2,6-dimethoxy-, methyl ester are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 551; (8)ACD/KOC (pH 7.4): 551; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 59.073 cm3; (15)Molar Volume: 191.516 cm3; (16)Polarizability: 23.418×10-24 cm3; (17)Surface Tension: 38.147 dyne/cm; (18)Density: 1.436 g/cm3; (19)Flash Point: 159.824 °C; (20)Enthalpy of Vaporization: 58.423 kJ/mol; (21)Boiling Point: 340.658 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(c(ccc1Br)OC)C(=O)OC
(2)InChI: InChI=1/C10H11BrO4/c1-13-7-5-4-6(11)9(14-2)8(7)10(12)15-3/h4-5H,1-3H3ed
(3)InChIKey: IYVSXIFYVRNTDY-UHFFFAOYSA-N