Products Categories
CAS No.: | 1039364-45-8 |
---|---|
Name: | 4-Chloro-2-iodopyrrolo[1,... |
Molecular Structure: | |
Formula: | C6H3ClIN3 |
Molecular Weight: | 279.47 |
Synonyms: | 4-Chloro-2-iodopyrrolo[2,1-f][1,2,4]triazine;MFCD11505876; |
Density: | 2.34 g/cm3 |
PSA: | 30.19000 |
LogP: | 1.98730 |
What can I do for you?
Get Best Price
The Pyrrolo[2,1-f][1,2,4]triazine, 4-chloro-2-iodo- has the CAS registry number 1039364-45-8. This chemical's molecular formula is C6H3ClIN3 and molecular weight is 279.47. What's more, its systematic name is 4-chloro-2-iodopyrrolo[2,1-f][1,2,4]triazine.
Physical properties of Pyrrolo[2,1-f][1,2,4]triazine, 4-chloro-2-iodo- are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.93; (6)ACD/BCF (pH 7.4): 86.93; (7)ACD/KOC (pH 5.5): 850.47; (8)ACD/KOC (pH 7.4): 850.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.832; (14)Molar Refractivity: 52.41 cm3; (15)Molar Volume: 119.1 cm3; (16)Polarizability: 20.77×10-24cm3; (17)Surface Tension: 67.6 dyne/cm; (18)Density: 2.34 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN2C(=C1)C(=NC(=N2)I)Cl
(2)InChI: InChI=1S/C6H3ClIN3/c7-5-4-2-1-3-11(4)10-6(8)9-5/h1-3H
(3)InChIKey: ACSUHYOSODMNIG-UHFFFAOYSA-N