12-(4-Azido-2-nitrophenoxy)stearic acid supplier

Name
12-(4-Azido-2-nitrophenoxy)stearic acid
EINECS
CAS No. 58470-00-1
Density
Solubility
Melting Point
Formula C₂₄H₃₈N₄O₅
Boiling Point
Molecular Weight 462.5823
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 12-(4-azido-2-nitro-phenoxy)octadecanoic acid;Octadecanoic acid, 12-(4-azido-2-nitrophenoxy)-;
PSA 142.10000
LogP 8.21596

12-(4-Azido-2-nitrophenoxy)stearic acid Specification

The 12-(4-Azido-2-nitrophenoxy)stearic acid, with the CAS registry number 58470-00-1, is also known as Octadecanoic acid, 12-(4-azido-2-nitrophenoxy)-. This chemical's molecular formula is C₂₄H₃₈N₄O₅ and molecular weight is 462.5823. What's more, both its IUPAC name and systematic name are the same which is called 12-(4-Azido-2-nitrophenoxy)octadecanoic acid.

Physical properties about 12-(4-Azido-2-nitrophenoxy)stearic acid are: (1)ACD/LogP: 8.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.13; (4)ACD/LogD (pH 7.4): 6.34; (5)ACD/BCF (pH 5.5): 576562.19; (6)ACD/BCF (pH 7.4): 9249.2; (7)ACD/KOC (pH 5.5): 274709.84; (8)ACD/KOC (pH 7.4): 4406.89; (9)#H bond acceptors: 9 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 93.71 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(\N=[N+]=[N-])ccc1OC(CCCCCCCCCCC(=O)O)CCCCCC
(2) InChI: InChI=1/C24H38N4O5/c1-2-3-4-11-14-21(15-12-9-7-5-6-8-10-13-16-24(29)30)33-23-18-17-20(26-27-25)19-22(23)28(31)32/h17-19,21H,2-16H2,1H3,(H,29,30)
(3) InChIKey: NZIRNUSQBUBHPF-UHFFFAOYAO

Product Name

12-(4-Azido-2-nitrophenoxy)stearic acid

12-(4-Azido-2-nitrophenoxy)stearic acid Specification

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