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370872-09-6

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Basic Information
CAS No.: 370872-09-6
Name: 5-Benzoyloxy-1(2H)-isoquinolinone
Article Data: 1
Molecular Structure:
Molecular Structure of 370872-09-6 (5-Benzoyloxy-1(2H)-isoquinolinone)
Formula: C16H11NO3
Molecular Weight: 265.268
Synonyms: 5-Benzoyloxy-1(2H)-isoquinolinone;
Density: 1.29 g/cm3
Melting Point: 234-236°C
Boiling Point: 575.7 °C at 760 mmHg
Flash Point: 302 °C
PSA: 59.42000
LogP: 3.15960
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Specification

The CAS register number of 1(2H)-Isoquinolinone, 5-(benzoyloxy)- is 370872-09-6. It also can be called as 5-Benzoyloxy-1(2H)-isoquinolinone and the systematic name about this chemical is 1-oxo-1,2-dihydroisoquinolin-5-yl benzoate. The molecular formula about this chemical is C16H11NO3 and the molecular weight is 265.26.

Physical properties about 1(2H)-Isoquinolinone, 5-(benzoyloxy)- are: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.29; (5)ACD/BCF (pH 7.4): 47.28; (6)ACD/KOC (pH 5.5): 550.03; (7)ACD/KOC (pH 7.4): 550.02; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 73.15 cm3; (14)Molar Volume: 205.5 cm3; (15)Polarizability: 29x10-24cm3; (16)Surface Tension: 51.7 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 302 °C; (19)Enthalpy of Vaporization: 86.22 kJ/mol; (20)Boiling Point: 575.7 °C at 760 mmHg; (21)Vapour Pressure: 2.96E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2cccc1c2\C=C/NC1=O)c3ccccc3
(2)InChI: InChI=1/C16H11NO3/c18-15-13-7-4-8-14(12(13)9-10-17-15)20-16(19)11-5-2-1-3-6-11/h1-10H,(H,17,18)
(3)InChIKey: FFWUPFYTTMMSTH-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C16H11NO3/c18-15-13-7-4-8-14(12(13)9-10-17-15)20-16(19)11-5-2-1-3-6-11/h1-10H,(H,17,18)
(5)Std. InChIKey: FFWUPFYTTMMSTH-UHFFFAOYSA-N