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CAS No.: | 3289-35-8 |
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Name: | 6-CHLOROCYTOSINE |
Molecular Structure: | |
Formula: | C4H4ClN3O |
Molecular Weight: | 145.548 |
Synonyms: | Cytosine,6-chloro- (7CI,8CI);2-Hydroxy-4-chloro-6-aminopyrimidine;6-Chlorocytosine; |
Density: | 1.79 g/cm3 |
PSA: | 71.77000 |
LogP: | 0.58670 |
This chemical is called 2(1H)-Pyrimidinone,4-amino-6-chloro-, and its systematic name is 4-amino-6-chloropyrimidin-2(1H)-one. With the molecular formula of C4H4ClN3O, its molecular weight is 145.55. The CAS registry number of this chemical is 3289-35-8. Additionally, its product category is Pyrimidine.
Other characteristics of the 2(1H)-Pyrimidinone,4-amino-6-chloro- can be summarised as followings: (1)ACD/LogP: -1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.82; (6)ACD/KOC (pH 7.4): 13.2; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.717; (12)Molar Refractivity: 31.9 cm3; (13)Molar Volume: 80.9 cm3; (14)Polarizability: 12.64×10-24cm3; (15)Surface Tension: 71.2 dyne/cm; (16)Density: 1.79 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: Cl\C1=C\C(=N/C(=O)N1)\N
2.InChI: InChI=1/C4H4ClN3O/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9)
3.InChIKey: XGKXWYFBNZLIHA-UHFFFAOYAZ