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7464-45-1

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Basic Information
CAS No.: 7464-45-1
Name: 2-nitrophenyl 4-methoxybenzoate
Article Data: 2
Molecular Structure:
Molecular Structure of 7464-45-1 (2-nitrophenyl 4-methoxybenzoate)
Formula: C14H11NO5
Molecular Weight: 273.2408
Synonyms: p-Anisic acid, o-nitrophenyl ester(8CI);NSC 404068;
Density: 1.309 g/cm3
Boiling Point: 475.4 °C at 760mmHg
Flash Point: 219 °C
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Specification

The Benzoicacid, 4-methoxy-, 2-nitrophenyl ester is an organic compound with the formula C14H11NO5. Its CAS registry number is 7464-45-1. The IUPAC name of this chemical is (2-Nitrophenyl) 4-methoxybenzoate. In addition, the molecular weight is 273.2408. 

Physical properties about Benzoicacid, 4-methoxy-, 2-nitrophenyl ester are: (1)ACD/LogP: 3.66; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 81.35Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 71.12 cm3; (9)Molar Volume: 208.6 cm3; (10)Polarizability: 28.19×10-24 cm3; (11)Surface Tension: 50.6 dyne/cm; (12)Density: 1.309 g/cm3; (13)Flash Point: 219 °C; (14)Enthalpy of Vaporization: 73.89 kJ/mol; (15)Boiling Point: 475.4 °C at 760 mmHg; (16)Vapour Pressure: 3.34E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccccc1[N+]([O-])=O)c2ccc(OC)cc2
(2) InChI: InChI=1/C14H11NO5/c1-19-11-8-6-10(7-9-11)14(16)20-13-5-3-2-4-12(13)15(17)18/h2-9H,1H3
(3) InChIKey: UYVDUQWRYPWKGD-UHFFFAOYAU