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122616-98-2

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Basic Information
CAS No.: 122616-98-2
Name: 4-AZIDO-2,3,5,6-TETRAFLUOROBENZAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 122616-98-2 (4-AZIDO-2,3,5,6-TETRAFLUOROBENZAMIDE)
Formula: C7H2F4N4O
Molecular Weight: 234.113
Synonyms: 4-Azido-2,3,5,6-tetrafluorobenzamide;
Melting Point: 160-162 °C
Appearance: white solid
PSA: 93.83000
LogP: 2.62066
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Specification

The Benzamide, 4-azido-2, 3, 5, 6-tetrafluoro-, with the CAS registry number 122616-98-2, belongs to the product categories of Affinity Chromatography; Photoaffinity Labels. This chemical's molecular formula is C7H2F4N4O and molecular weight is 234.11. What's more, its systematic name is 4-Azido-2, 3, 5, 6-tetrafluorobenzamide.

Physical properties about Benzamide, 4-azido-2, 3, 5, 6-tetrafluoro- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.33; (6)ACD/BCF (pH 7.4): 13.33; (7)ACD/KOC (pH 5.5): 222.27; (8)ACD/KOC (pH 7.4): 222.27; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.67 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(C(=O)N)c(F)c(F)c(\N=[N+]=[N-])c1F
(2) InChI: InChI=1/C7H2F4N4O/c8-2-1(7(12)16)3(9)5(11)6(4(2)10)14-15-13/h(H2,12,16)
(3) InChIKey: CRAAAVAALQAHLQ-UHFFFAOYAM