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60075-72-1 | Carbonic acid 2-ethylhexyl p-iodobenzyl ester
CAS No: 60075-72-1 Catalog No: AG00EQ4I MDL No:
Product Description
Catalog Number:
AG00EQ4I
Chemical Name:
Carbonic acid 2-ethylhexyl p-iodobenzyl ester
CAS Number:
60075-72-1
IUPAC Name:
2-ethylhexyl (4-iodophenyl)methyl carbonate
InChI:
InChI=1S/C16H23IO3/c1-3-5-6-13(4-2)11-19-16(18)20-12-14-7-9-15(17)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3
InChI Key:
ZMRCGCQZTPUXRF-UHFFFAOYSA-N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.261g/mol
Monoisotopic Mass:
390.069g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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