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82584-00-7 | 5-BENZYLOXY-2-IODO-4-METHOXYBENZALDEHYDE
CAS No: 82584-00-7 Catalog No: AG005CSH MDL No:
Product Description
Catalog Number:
AG005CSH
Chemical Name:
5-BENZYLOXY-2-IODO-4-METHOXYBENZALDEHYDE
CAS Number:
82584-00-7
Molecular Formula:
C15H13IO3
Molecular Weight:
368.1664
IUPAC Name:
2-iodo-4-methoxy-5-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C15H13IO3/c1-18-14-8-13(16)12(9-17)7-15(14)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
FXMQUHSCEXAVRG-UHFFFAOYSA-N
SMILES:
COc1cc(I)c(cc1OCc1ccccc1)C=O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.17g/mol
Monoisotopic Mass:
367.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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