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85340-63-2 | Benzoic acid,4-(4-chlorobenzoyl)-, 2-[(1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS No: 85340-63-2 Catalog No: AG004P7T MDL No:
Product Description
Catalog Number:
AG004P7T
Chemical Name:
Benzoic acid,4-(4-chlorobenzoyl)-, 2-[(1-oxo-2-propen-1-yl)oxy]ethyl ester
CAS Number:
85340-63-2
Molecular Formula:
C19H15ClO5
Molecular Weight:
358.7724
IUPAC Name:
2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate
InChI:
InChI=1S/C19H15ClO5/c1-2-17(21)24-11-12-25-19(23)15-5-3-13(4-6-15)18(22)14-7-9-16(20)10-8-14/h2-10H,1,11-12H2
InChI Key:
RBTZRUFZVIIWFA-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.061g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.774g/mol
Monoisotopic Mass:
358.061g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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