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55153-29-2 | 4-Iodobenzoic acid phenacyl ester
CAS No: 55153-29-2 Catalog No: AG00DYXV MDL No:MFCD01935671
Product Description
Catalog Number:
AG00DYXV
Chemical Name:
4-Iodobenzoic acid phenacyl ester
CAS Number:
55153-29-2
Molecular Formula:
C15H11IO3
Molecular Weight:
366.1505
MDL Number:
MFCD01935671
IUPAC Name:
phenacyl 4-iodobenzoate
InChI:
InChI=1S/C15H11IO3/c16-13-8-6-12(7-9-13)15(18)19-10-14(17)11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
MLOLQUAQSPKDIW-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(=O)OCC(=O)c1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.975g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.154g/mol
Monoisotopic Mass:
365.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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