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CAS No.: | 124276-95-5 |
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Name: | 1-(3-Bromophenyl)cyclopropanecarboxylic acid |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H9BrO2 |
Molecular Weight: | 241.084 |
Synonyms: | AKOS BBV-005261;1-(3-Bromophenyl)cyclopropane-1-carboxylic acid; |
Density: | 1.671 g/cm3 |
Boiling Point: | 367.55 °C at 760 mmHg |
Flash Point: | 176.089 °C |
PSA: | 37.30000 |
LogP: | 2.56530 |
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The Cyclopropanecarboxylic acid, 1-(3-bromophenyl)-, with the CAS registry number 124276-95-5, is also known as 1-(3-Bromophenyl)cyclopropane-1-carboxylic acid. It belongs to the product categories of Pharmacetical; Carboxylic Acids; Carboxylic Acids; Ring Systems. This chemical's molecular formula is C10H9BrO2 and molecular weight is 241.08. What's more, its systematic name is 1-(3-bromophenyl)cyclopropanecarboxylic acid.
Physical properties of Cyclopropanecarboxylic acid, 1-(3-bromophenyl)- are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 22; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 37.3 Å2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 51.982 cm3; (13)Molar Volume: 144.289 cm3; (14)Polarizability: 20.607×10-24cm3; (15)Surface Tension: 61.407 dyne/cm; (16)Density: 1.671 g/cm3; (17)Flash Point: 176.089 °C; (18)Enthalpy of Vaporization: 64.79 kJ/mol; (19)Boiling Point: 367.55 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC1(C2=CC(=CC=C2)Br)C(=O)O
(2)InChI: InChI=1S/C10H9BrO2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6H,4-5H2,(H,12,13)
(3)InChIKey: MYDCJGVBYNDHIC-UHFFFAOYSA-N