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123126-41-0 | Benzoyl chloride, 3,5-bis(dodecyloxy)-
CAS No: 123126-41-0 Catalog No: AG000K2K MDL No:
Product Description
Catalog Number:
AG000K2K
Chemical Name:
Benzoyl chloride, 3,5-bis(dodecyloxy)-
CAS Number:
123126-41-0
Molecular Formula:
C31H53ClO3
Molecular Weight:
509.2037
IUPAC Name:
3,5-didodecoxybenzoyl chloride
InChI:
InChI=1S/C31H53ClO3/c1-3-5-7-9-11-13-15-17-19-21-23-34-29-25-28(31(32)33)26-30(27-29)35-24-22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-24H2,1-2H3
InChI Key:
JKAASYDTBZKTKR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(c1)C(=O)Cl
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
508.368g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
509.212g/mol
Monoisotopic Mass:
508.368g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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