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84782-20-7 | Benzoic acid,4-[[10-(4-chlorophenoxy)decyl]oxy]-
CAS No: 84782-20-7 Catalog No: AG004XOL MDL No:
Product Description
Catalog Number:
AG004XOL
Chemical Name:
Benzoic acid,4-[[10-(4-chlorophenoxy)decyl]oxy]-
CAS Number:
84782-20-7
Molecular Formula:
C23H29ClO4
Molecular Weight:
404.9270
IUPAC Name:
4-[10-(4-chlorophenoxy)decoxy]benzoic acid
InChI:
InChI=1S/C23H29ClO4/c24-20-11-15-22(16-12-20)28-18-8-6-4-2-1-3-5-7-17-27-21-13-9-19(10-14-21)23(25)26/h9-16H,1-8,17-18H2,(H,25,26)
InChI Key:
XXFBIRVSYOOALG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCCCCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.175g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.931g/mol
Monoisotopic Mass:
404.175g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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