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116120-50-4 | Benzoic acid, 4-butoxy-, 4-(chlorocarbonyl)phenyl ester
CAS No: 116120-50-4 Catalog No: AG000BOZ MDL No:
Product Description
Catalog Number:
AG000BOZ
Chemical Name:
Benzoic acid, 4-butoxy-, 4-(chlorocarbonyl)phenyl ester
CAS Number:
116120-50-4
Molecular Formula:
C18H17ClO4
Molecular Weight:
332.7782
IUPAC Name:
(4-carbonochloridoylphenyl) 4-butoxybenzoate
InChI:
InChI=1S/C18H17ClO4/c1-2-3-12-22-15-8-6-14(7-9-15)18(21)23-16-10-4-13(5-11-16)17(19)20/h4-11H,2-3,12H2,1H3
InChI Key:
ZSBISKAZHWVZBC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)Cl
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.78g/mol
Monoisotopic Mass:
332.082g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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