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916420-25-2

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Basic Information
CAS No.: 916420-25-2
Name: (9H-fluoren-9-yl)methyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Molecular Structure:
Molecular Structure of 916420-25-2 ((9H-fluoren-9-yl)methyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate)
Formula: C22H18ClN3O2
Molecular Weight: 391.85
Synonyms: Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 4-chloro-7,8-dihydro-, 9H-fluoren-9-ylmethyl ester;
Density: 1.362 g/cm3
Boiling Point: 596.2 °C at 760 mmHg
Flash Point: 314.4 °C
PSA: 55.32000
LogP: 4.37510
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Specification

The (9H-Fluoren-9-yl)methyl 4-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate with the cas number 916420-25-2 is also called Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 4-chloro-7,8-dihydro-, 9H-fluoren-9-ylmethyl ester. The systematic name is 9H-fluoren-9-ylmethyl 4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate. Its molecular formula is C22H18ClN3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64 ; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 55.32 ?2; (9)Index of Refraction: 1.657; (10)Molar Refractivity: 105.82 cm3; (11)Molar Volume: 287.6 cm3; (12)Polarizability: 41.95×10-24cm3; (13)Surface Tension: 61.4 dyne/cm; (14)Enthalpy of Vaporization: 88.83 kJ/mol ; (15)Vapour Pressure: 3.53×10-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc2CCN(Cc12)C(=O)OCC5c3ccccc3c4ccccc45
(2)InChI: InChI=1/C22H18ClN3O2/c23-21-18-11-26(10-9-20(18)24-13-25-21)22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,13,19H,9-12H2
(3)InChIKey: LKMQJBUAKFFRHD-UHFFFAOYAP