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55153-31-6 | 2-Iodobenzoic acid phenacyl ester
CAS No: 55153-31-6 Catalog No: AG00DYXU MDL No:
Product Description
Catalog Number:
AG00DYXU
Chemical Name:
2-Iodobenzoic acid phenacyl ester
CAS Number:
55153-31-6
IUPAC Name:
phenacyl 2-iodobenzoate
InChI:
InChI=1S/C15H11IO3/c16-13-9-5-4-8-12(13)15(18)19-10-14(17)11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
XFUHEPSSEZMBRI-UHFFFAOYSA-N
Properties
Complexity:
323
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:
4.2
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