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CAS No.: | 903130-16-5 |
---|---|
Name: | (9H-fluoren-9-yl)methyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate |
Molecular Structure: | |
Formula: | C22H17Cl2N3O2 |
Molecular Weight: | 426.3 |
Synonyms: | (9H-FLUOREN-9-YL)METHYL 2,4-DICHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE;(9H-fluoren-9-yl)Methyl 2;3-d]pyriMidine-6(5H)-carboxylate;4-dichloro-7;8-dihydropyrido[4 |
EINECS: | 1533716-785-6 |
Density: | 1.422 g/cm3 |
Boiling Point: | 617.8 °C at 760 mmHg |
Flash Point: | 327.4 °C |
PSA: | 55.32000 |
LogP: | 5.02850 |
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The (9H-Fluoren-9-yl)methyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate is an organic compound with the formula C22H17Cl2N3O2. The systematic name of this chemical is 9H-fluoren-9-ylmethyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate. With the CAS registry number 903130-16-5, it is also named as Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2,4-dichloro-7,8-dihydro-, 9H-fluoren-9-ylmethyl ester. The product's category is Chiral chemicals.
Physical properties about (9H-Fluoren-9-yl)methyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 4.32; (3)ACD/LogD (pH 7.4): 4.32; (4)ACD/BCF (pH 5.5): 1135.68; (5)ACD/BCF (pH 7.4): 1135.68; (6)ACD/KOC (pH 5.5): 5352.42; (7)ACD/KOC (pH 7.4): 5352.42; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.32 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 110.72 cm3; (13)Molar Volume: 299.6 cm3; (14)Polarizability: 43.89×10-24cm3; (15)Surface Tension: 62.5 dyne/cm; (16)Density: 1.422 g/cm3; (17)Flash Point: 327.4 °C; (18)Enthalpy of Vaporization: 91.61 kJ/mol; (19)Boiling Point: 617.8 °C at 760 mmHg; (20)Vapour Pressure: 3.42E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(Cl)nc2CCN(Cc12)C(=O)OCC5c3ccccc3c4ccccc45
(2)InChI: InChI=1/C22H17Cl2N3O2/c23-20-17-11-27(10-9-19(17)25-21(24)26-20)22(28)29-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,18H,9-12H2
(3)InChIKey: AYCKHGGFLCWKMC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H17Cl2N3O2/c23-20-17-11-27(10-9-19(17)25-21(24)26-20)22(28)29-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,18H,9-12H2
(5)Std. InChIKey: AYCKHGGFLCWKMC-UHFFFAOYSA-N