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CAS No.: | 64398-17-0 |
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Name: | Thymidine, 3-chloro- |
Molecular Structure: | |
Formula: | C10H13ClN2O5 |
Molecular Weight: | 276.67 |
Synonyms: | 3-chlorothymidine;Thymidine, 3-chloro-; |
Density: | 1.61 g/cm3 |
Boiling Point: | 475.3 °C at 760 mmHg |
Flash Point: | 241.3 °C |
PSA: | 93.69000 |
LogP: | -1.03900 |
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The Thymidine, 3-chloro- (9CL), with the CAS registry number 64398-17-0, is also known as Thymidine, 3-chloro-. This chemical's molecular formula is C10H13ClN2O5 and molecular weight is 276.67. What's more, its systematic name is 3-chlorothymidine.
Physical properties of Thymidine, 3-chloro- (9CL) are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.97; (8)ACD/KOC (pH 7.4): 19.97; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.31 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 61.51 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 24.38×10-24 cm3; (17)Surface Tension: 75.4 dyne/cm; (18)Density: 1.61 g/cm3; (19)Flash Point: 241.3 °C; (20)Enthalpy of Vaporization: 85.16 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 4.97E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C/1N(Cl)C(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)C2)CO
(2)InChI: InChI=1/C10H13ClN2O5/c1-5-3-12(10(17)13(11)9(5)16)8-2-6(15)7(4-14)18-8/h3,6-8,14-15H,2,4H2,1H3/t6-,7+,8+/m0/s1
(3)InChIKey: CVBHYWAQQKKDRC-XLPZGREQBA