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122060-82-6 | Benzoyl chloride, 3,5-bis(decyloxy)-
CAS No: 122060-82-6 Catalog No: AG0016PE MDL No:
Product Description
Catalog Number:
AG0016PE
Chemical Name:
Benzoyl chloride, 3,5-bis(decyloxy)-
CAS Number:
122060-82-6
Molecular Formula:
C27H45ClO3
Molecular Weight:
453.0974
IUPAC Name:
3,5-didecoxybenzoyl chloride
InChI:
InChI=1S/C27H45ClO3/c1-3-5-7-9-11-13-15-17-19-30-25-21-24(27(28)29)22-26(23-25)31-20-18-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3
InChI Key:
FHSDEUDWVYWJHV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(c1)C(=O)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.306g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.104g/mol
Monoisotopic Mass:
452.306g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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