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60075-69-6 | Carbonic acid 1-ethylbutyl p-iodobenzyl ester
CAS No: 60075-69-6 Catalog No: AG00EQ51 MDL No:
Product Description
Catalog Number:
AG00EQ51
Chemical Name:
Carbonic acid 1-ethylbutyl p-iodobenzyl ester
CAS Number:
60075-69-6
IUPAC Name:
hexan-3-yl (4-iodophenyl)methyl carbonate
InChI:
InChI=1S/C14H19IO3/c1-3-5-13(4-2)18-14(16)17-10-11-6-8-12(15)9-7-11/h6-9,13H,3-5,10H2,1-2H3
InChI Key:
VZYPHFGDCPTQEA-UHFFFAOYSA-N
Properties
Complexity:
237
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:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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