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67987-29-5 | Carbonic acid butyl p-iodobenzyl ester
CAS No: 67987-29-5 Catalog No: AG00FL55 MDL No:
Product Description
Catalog Number:
AG00FL55
Chemical Name:
Carbonic acid butyl p-iodobenzyl ester
CAS Number:
67987-29-5
IUPAC Name:
butyl (4-iodophenyl)methyl carbonate
InChI:
InChI=1S/C12H15IO3/c1-2-3-8-15-12(14)16-9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChI Key:
WKIGLQGNJCDLHS-UHFFFAOYSA-N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.153g/mol
Monoisotopic Mass:
334.007g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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