CAS No.10212-19-8,2'-CHLORO-2'-DEOXYCYTIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10212-19-8
Name:	2'-CHLORO-2'-DEOXYCYTIDINE
Article Data:	3

Formula:	C₉H₁₂ClN₃O₄
Molecular Weight:	261.665
Synonyms:	2-Chloro-2'-deoxycytidine;2'-Deoxy-2'-chlorocytidine;
Density:	1.863 g/cm³
Boiling Point:	551.253 °C at 760 mmHg
Flash Point:	287.188 °C
PSA:	110.60000
LogP:	-0.73530

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Specification

The systematic name of Cytidine,2'-chloro-2'-deoxy- (8CI,9CI) is 4-amino-1-[(2R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one. With the CAS registry number 10212-19-8, it is also named as 2-Chloro-2'-deoxycytidine. In addition, its molecular formula is C₉H₁₂ClN₃O₄ and its molecular weight is 261.66.

The other characteristics of Cytidine,2'-chloro-2'-deoxy- (8CI,9CI) can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.137; (5)ACD/KOC (pH 7.4): 3.279; (6)#H bond acceptors: 7; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 108.38 Å²; (10)Index of Refraction: 1.736; (11)Molar Refractivity: 56.392 cm³; (12)Molar Volume: 140.461 cm³; (13)Polarizability: 22.355×10^-24cm³; (14)Surface Tension: 78.662 dyne/cm; (15)Density: 1.863 g/cm³; (16)Flash Point: 287.188 °C; (17)Enthalpy of Vaporization: 95.578 kJ/mol; (18)Boiling Point: 551.253 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)CO)O)Cl
(2)InChI: InChI=1/C9H12ClN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6,7-,8-/m1/s1
(3)InChIKey: LOZPBORRQPATRO-RNMRRNDGBH
(4)Std. InChI: InChI=1S/C9H12ClN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6,7-,8-/m1/s1
(5)Std. InChIKey: LOZPBORRQPATRO-RNMRRNDGSA-N