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| CAS No.: | 918340-51-9 |
|---|---|
| Name: | 4-chlorofuro[2,3-d]pyrimidine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H3ClN2O |
| Molecular Weight: | 154.556 |
| Synonyms: | 4-Chlorofuro[2,3-d]pyrimidine;4-Chlorofuro[2,3-d]pyrimidine; |
| Density: | 1.476 g/cm3 |
| Boiling Point: | 230.852 °C at 760 mmHg |
| Flash Point: | 93.416 °C |
| PSA: | 38.92000 |
| LogP: | 1.87620 |
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- Total:36 Page 1 of 1 1
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Specification
The Furo[2,3-d]pyrimidine, 4-chloro-, with the CAS registry number 918340-51-9, has the systematic name and IUPAC name of 4-chlorofuro[2,3-d]pyrimidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H3ClN2O.
The characteristics of Furo[2,3-d]pyrimidine, 4-chloro- are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.986; (4)ACD/LogD (pH 7.4): 0.986; (5)ACD/BCF (pH 5.5): 3.305; (6)ACD/BCF (pH 7.4): 3.305; (7)ACD/KOC (pH 5.5): 81.897; (8)ACD/KOC (pH 7.4): 81.897; (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: 1.634; (14)Molar Refractivity: 37.473 cm3; (15)Molar Volume: 104.742 cm3; (16)Polarizability: 14.855×10-24cm3; (17)Surface Tension: 58.159 dyne/cm; (18)Density: 1.476 g/cm3; (19)Flash Point: 93.416 °C; (20)Enthalpy of Vaporization: 44.851 kJ/mol; (21)Boiling Point: 230.852 °C at 760 mmHg; (22)Vapour Pressure: 0.098 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1coc2c1c(ncn2)Cl
(2)InChI: InChI=1/C6H3ClN2O/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
(3)InChIKey: RXNNSCCBHMRHIX-UHFFFAOYAI