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73252-53-6 | Benzaldehyde, 2-iodo-3,4,5-trimethoxy-
CAS No: 73252-53-6 Catalog No: AG005FIQ MDL No:
Product Description
Catalog Number:
AG005FIQ
Chemical Name:
Benzaldehyde, 2-iodo-3,4,5-trimethoxy-
CAS Number:
73252-53-6
Molecular Formula:
C10H11IO4
Molecular Weight:
322.0964
IUPAC Name:
2-iodo-3,4,5-trimethoxybenzaldehyde
InChI:
InChI=1S/C10H11IO4/c1-13-7-4-6(5-12)8(11)10(15-3)9(7)14-2/h4-5H,1-3H3
InChI Key:
AVNJIXMQIQVSML-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1OC)OC)I
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.098g/mol
Monoisotopic Mass:
321.97g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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