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2,4-Dichlorofuro[3,2-d]pyrimidine

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Name

2,4-Dichlorofuro[3,2-d]pyrimidine

EINECS N/A
CAS No. 956034-07-4 Density 1.619 g/cm3
PSA 38.92000 LogP 2.52960
Solubility N/A Melting Point N/A
Formula C6H2Cl2N2O Boiling Point N/A
Molecular Weight 189.001 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 956034-07-4 (2,4-DICHLOROFURO[3,2-D]PYRIMIDINE) Hazard Symbols N/A
Synonyms

2,4-DICHLOROFURO[3,2-D]PYRIMIDINE;2,4-Dichlorofuro[3,2-d]py...;4-dichlorofuro[3

Article Data 11

2,4-Dichlorofuro[3,2-d]pyrimidine Specification

The Furo[3,2-d]pyrimidine,2,4-dichloro-, with its CAS registry number 956034-07-4, has the systematic name of 2,4-Dichlorofuro[3,2-d]pyrimidine. And it has the molecular formula of C6H2Cl2N2O.

The characteristics of Furo[3,2-d]pyrimidine,2,4-dichloro- are as follows: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.37; (6)ACD/BCF (pH 7.4): 18.37; (7)ACD/KOC (pH 5.5): 279.55; (8)ACD/KOC (pH 7.4): 279.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 42.36 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 16.79×10-24cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.619 g/cm3.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c1coc2c1nc(nc2Cl)Cl
(2)InChI:InChI=1/C6H2Cl2N2O/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
(3)InChIKey:OTFDNOQBJWBJJM-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C6H2Cl2N2O/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
(5)Std. InChIKey:OTFDNOQBJWBJJM-UHFFFAOYSA-N

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