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123126-44-3

123126-44-3 | Benzoyl azide, 3,4,5-tris(dodecyloxy)-

CAS No: 123126-44-3 Catalog No: AG000K2J MDL No:

Product Description

Catalog Number:
AG000K2J
Chemical Name:
Benzoyl azide, 3,4,5-tris(dodecyloxy)-
CAS Number:
123126-44-3
Molecular Formula:
C43H77N3O4
Molecular Weight:
700.0892
IUPAC Name:
3,4,5-tridodecoxybenzoyl azide
InChI:
InChI=1S/C43H77N3O4/c1-4-7-10-13-16-19-22-25-28-31-34-48-40-37-39(43(47)45-46-44)38-41(49-35-32-29-26-23-20-17-14-11-8-5-2)42(40)50-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
InChI Key:
BUMXPBBZFNWGMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCC)C(=O)N=[N+]=[N-]

Properties

Complexity:
754  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
699.591g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
700.106g/mol
Monoisotopic Mass:
699.591g/mol
Rotatable Bond Count:
37  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.4  

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