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147214-39-9

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Basic Information
CAS No.: 147214-39-9
Name: 2-bromo-3-4-difluoropropiophenone
Article Data: 5
Molecular Structure:
Molecular Structure of 147214-39-9 (2-bromo-3-4-difluoropropiophenone)
Formula: C9H7BrF2O
Molecular Weight: 249.055
Synonyms: 2-Bromo-1-(3, 4-difluorophenyl)propan-1-one;
Density: 1.561 g/cm3
Boiling Point: 269.3 °C at 760 mmHg
Flash Point: 116.6 °C
PSA: 17.07000
LogP: 2.93090
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Specification

The 2-Bromo-3, 4-difluoropropiophenone has CAS registry number 147214-39-9. This chemical's molecular formula is C9H7BrF2O and molecular weight is 249.0521. What's more, its systematic name is 2-Bromo-1-(3, 4-difluorophenyl)propan-1-one.

Physical properties about 2-Bromo-3, 4-difluoropropiophenone are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 56.14; (6)ACD/BCF (pH 7.4): 56.14; (7)ACD/KOC (pH 5.5): 621.97; (8)ACD/KOC (pH 7.4): 621.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 48.59 cm3; (15)Molar Volume: 159.4 cm3; (16)Polarizability: 19.26×10-24 cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.561 g/cm3; (19)Flash Point: 116.6 °C; (20)Enthalpy of Vaporization: 50.74 kJ/mol; (21)Boiling Point: 269.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00733 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1F)C(=O)C(Br)C
(2) InChI: InChI=1/C9H7BrF2O/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5H,1H3
(3) InChIKey: JALLRKHRTZCDBV-UHFFFAOYAM