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853055-43-3 | Benzoyl chloride, 3,4,5-tris(tetradecyloxy)-
CAS No: 853055-43-3 Catalog No: AG004ULS MDL No:
Product Description
Catalog Number:
AG004ULS
Chemical Name:
Benzoyl chloride, 3,4,5-tris(tetradecyloxy)-
CAS Number:
853055-43-3
Molecular Formula:
C49H89ClO4
Molecular Weight:
777.6816
IUPAC Name:
3,4,5-tri(tetradecoxy)benzoyl chloride
InChI:
InChI=1S/C49H89ClO4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-52-46-43-45(49(50)51)44-47(53-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48(46)54-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43-44H,4-42H2,1-3H3
InChI Key:
QTXVOOHANRVDDY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1c(OCCCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCCCC)C(=O)Cl
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
776.645g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
777.697g/mol
Monoisotopic Mass:
776.645g/mol
Rotatable Bond Count:
43
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
22.3
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