Name: 4-BROMOPENTANOPHENONE
SKU: 7295-46-7

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Basic Information

Molecular Structure:
CAS No.:	7295-46-7
Name:	4-BROMOPENTANOPHENONE
Article Data:	13

Formula:	C₁₂H₁₅BrO
Molecular Weight:	255.155
Synonyms:	1-hexanone, 1-(4-bromophenyl)-;
Density:	1.255g/cm³
Melting Point:	59-60 °C
Boiling Point:	321.834 °C at 760 mmHg
Flash Point:	48.056 °C
PSA:	17.07000
LogP:	4.21210

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Specification

The 4-Bromohexanophenone with cas registry number of 7295-46-7, belongs to the following product categories: Aromatic Ketones (substituted). It has the systematic name of 1-(4-bromophenyl)hexan-1-one. And it is also named 1-hexanone, 1-(4-bromophenyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1706; (6)ACD/BCF (pH 7.4): 1706; (7)ACD/KOC (pH 5.5): 7164; (8)ACD/KOC (pH 7.4): 7164; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 62.502 cm³; (15)Molar Volume: 203.176 cm³; (16)Polarizability: 24.778×10^-24cm³; (17)Surface Tension: 37.294 dyne/cm; (18)Enthalpy of Vaporization: 56.363 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)CCCCC;
(2)InChI: InChI=1/C12H15BrO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3;
(3)InChIKey: MVLMRPWLTMFPJI-UHFFFAOYAQ;
(4)Std. InChI: InChI=1S/C12H15BrO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3;
(5)Std. InChIKey: MVLMRPWLTMFPJI-UHFFFAOYSA-N