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Home > Aldehydes > 1269293-42-6
1269293-42-6 | Benzaldehyde, 5-bromo-2-iodo-4-methoxy-
CAS No: 1269293-42-6 Catalog No: AG000WDB MDL No:
Product Description
Catalog Number:
AG000WDB
Chemical Name:
Benzaldehyde, 5-bromo-2-iodo-4-methoxy-
CAS Number:
1269293-42-6
Molecular Formula:
C8H6BrIO2
Molecular Weight:
340.9405
IUPAC Name:
5-bromo-2-iodo-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H6BrIO2/c1-12-8-3-7(10)5(4-11)2-6(8)9/h2-4H,1H3
InChI Key:
YLYKODXTVWYWHT-UHFFFAOYSA-N
SMILES:
COc1cc(I)c(cc1Br)C=O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.86g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.942g/mol
Monoisotopic Mass:
339.86g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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