Basic information
- Name:
Furo[3,2-d]pyrimidine,2,4-dichloro-
- Superlist Name:
- 2,4-Dichlorofuro[3,2-d]pyrimidine
- CAS No.:
956034-07-4
- Molecular Structure:
![Molecular Structure of 956034-07-4 (Furo[3,2-d]pyrimidine,2,4-dichloro-)](http://www.lookchem.com/300w/2010/0714/956034-07-4.jpg)
- Formula:
- C6H2Cl2N2O
- Molecular Weight:
- 189.00
- Density:
- 1.619 g/cm3
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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