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67987-32-0 | HEXYL M-IODOBENZYL CARBONATE
CAS No: 67987-32-0 Catalog No: AG005OA6 MDL No:
Product Description
Catalog Number:
AG005OA6
Chemical Name:
HEXYL M-IODOBENZYL CARBONATE
CAS Number:
67987-32-0
Molecular Formula:
C14H19IO3
Molecular Weight:
362.2033
IUPAC Name:
hexyl (3-iodophenyl)methyl carbonate
InChI:
InChI=1S/C14H19IO3/c1-2-3-4-5-9-17-14(16)18-11-12-7-6-8-13(15)10-12/h6-8,10H,2-5,9,11H2,1H3
InChI Key:
NRPPDTCNEWZSNQ-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)OCc1cccc(c1)I
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.207g/mol
Monoisotopic Mass:
362.038g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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