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117241-33-5 | Benzoyl chloride, 3,4,5-tris(dodecyloxy)-
CAS No: 117241-33-5 Catalog No: AG000DYR MDL No:
Product Description
Catalog Number:
AG000DYR
Chemical Name:
Benzoyl chloride, 3,4,5-tris(dodecyloxy)-
CAS Number:
117241-33-5
Molecular Formula:
C43H77ClO4
Molecular Weight:
693.5221
IUPAC Name:
3,4,5-tridodecoxybenzoyl chloride
InChI:
InChI=1S/C43H77ClO4/c1-4-7-10-13-16-19-22-25-28-31-34-46-40-37-39(43(44)45)38-41(47-35-32-29-26-23-20-17-14-11-8-5-2)42(40)48-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
InChI Key:
HPYWLOVESKFEQS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)cc(cc1OCCCCCCCCCCCC)C(=O)Cl
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
692.551g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
693.535g/mol
Monoisotopic Mass:
692.551g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.1
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