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CAS No.: | 139428-47-0 |
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Name: | 4-AZIDO-2,3,5,6-TETRAFLUOROBENZYL AMINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C7H5ClF4N4 |
Molecular Weight: | 256.59 |
Synonyms: | Benzenemethanamine,4-azido-2,3,5,6-tetrafluoro-, monohydrochloride (9CI);(4-Azido-2,3,5,6-tetrafluorobenzyl)aminehydrochloride; |
PSA: | 75.77000 |
LogP: | 3.59856 |
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This chemical is called 4-Azido-2,3,5,6-tetrafluorobenzyl amine hydrochloride, and its systematic name is 1-(4-azido-2,3,5,6-tetrafluorophenyl)methanamine hydrochloride. With the molecular formula of C7H5ClF4N4, its molecular weight is 256.59. The CAS registry number of this chemical is 139428-47-0.
Other characteristics of the 4-Azido-2,3,5,6-tetrafluorobenzyl amine hydrochloride can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.9; (7)ACD/KOC (pH 5.5): 1.27; (8)ACD/KOC (pH 7.4): 63.47; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3 Polar; (12)Surface Area: 15.6 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(/N=[N+]=[N-])c(F)c(F)c(c1F)CN.Cl
2.InChI: InChI=1/C7H4F4N4.ClH/c8-3-2(1-12)4(9)6(11)7(5(3)10)14-15-13;/h1,12H2;1H
3.InChIKey: VAPCAPYEWOSREQ-UHFFFAOYAH