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Methyl 3-(4-bromophenyl)propanoate

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Name

Methyl 3-(4-bromophenyl)propanoate

EINECS N/A
CAS No. 75567-84-9 Density 1.39 g/cm3
PSA 26.30000 LogP 2.55470
Solubility N/A Melting Point N/A
Formula C10H11BrO2 Boiling Point 287.26 °C at 760 mmHg
Molecular Weight 243.1 Flash Point 127.53 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 75567-84-9 (methyl 3-(4-bromophenyl)propanoate) Hazard Symbols N/A
Synonyms

3-(4-Bromophenyl)propionicacid methyl ester;Methyl 3-(4-bromophenyl)propionate;Methylp-bromophenylpropanoate;

Article Data 27

Methyl 3-(4-bromophenyl)propanoate Specification

The Methyl 3-(4-bromophenyl)propanoate, with CAS registry number 75567-84-9, has the systematic name of methyl 3-(4-bromophenyl)propanoate. Besides this, it is also called benzenepropanoic acid, 4-bromo-, methyl ester. And the chemical formula of this chemical is C10H11BrO2.

Physical properties of Methyl 3-(4-bromophenyl)propanoate: (1)ACD/LogP: 3.28; (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): 118; (6)ACD/BCF (pH 7.4): 118; (7)ACD/KOC (pH 5.5): 1060; (8)ACD/KOC (pH 7.4): 1060; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 54.533 cm3; (15)Molar Volume: 174.931 cm3; (16)Polarizability: 21.619×10-24cm3; (17)Surface Tension: 39.543 dyne/cm; (18)Enthalpy of Vaporization: 52.642 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CCC(=O)OC
(2)InChI: InChI=1/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
(3)InChIKey: FKPYNBFWCSTPOT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
(5)Std. InChIKey: FKPYNBFWCSTPOT-UHFFFAOYSA-N

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