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Pteridine,2,4-dichloro-5,6,7,8-tetrahydro- (98142-36-0)

Identification
Name:Pteridine,2,4-dichloro-5,6,7,8-tetrahydro-
Synonyms:Pteridine,2,4-dichloro-1,5,6,7-tetrahydro- (9CI);Pteridine,2,4-dichloro-5,6,7,8-tetrahydro- (6CI);2,4-Dichloro-5,6,7,8-tetrahydropteridine;NSC 251972;
CAS:98142-36-0
Molecular Formula: C6H6Cl2N4
Molecular Weight: 205.04
InChI: InChI=1/C6H6Cl2N4/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h9H,1-2H2,(H,10,11,12)
Molecular Structure: (C6H6Cl2N4) Pteridine,2,4-dichloro-1,5,6,7-tetrahydro- (9CI);Pteridine,2,4-dichloro-5,6,7,8-tetrahydro- (6CI);2,...
Properties
Density:1.478
Refractive index:1.585
Specification:

The 2,4-Dichloro-5,6,7,8-tetrahydropteridine, with CAS registry number 98142-36-0, belongs to the following product categorie: Chiral chemicals. It has the systematic name of 2,4-dichloro-5,6,7,8-tetrahydropteridine. Besides this, it is also called pteridine, 2,4-dichloro-5,6,7,8-tetrahydro-.

Physical properties about this chemical are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 32.26 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 46.48 cm3; (9)Molar Volume: 138.6 cm3; (10)Polarizability: 18.42×10-24cm3; (11)Surface Tension: 55.8 dyne/cm; (12)Enthalpy of Vaporization: 62.97 kJ/mol; (13)Vapour Pressure: 5.07E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc2c(c(Cl)n1)NCCN2
(2)InChI: InChI=1/C6H6Cl2N4/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h9H,1-2H2,(H,10,11,12)
(3)InChIKey: VTUGNSXVSBOONY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H6Cl2N4/c7-4-3-5(10-2-1-9-3)12-6(8)11-4/h9H,1-2H2,(H,10,11,12)
(5)Std. InChIKey: VTUGNSXVSBOONY-UHFFFAOYSA-N

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