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2314-37-6 | Benzaldehyde, 3-iodo-4-methoxy-
CAS No: 2314-37-6 Catalog No: AG002MBI MDL No:MFCD01009500
Product Description
Catalog Number:
AG002MBI
Chemical Name:
Benzaldehyde, 3-iodo-4-methoxy-
CAS Number:
2314-37-6
Molecular Formula:
C8H7IO2
Molecular Weight:
262.0445
MDL Number:
MFCD01009500
IUPAC Name:
3-iodo-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:
RVWOHBWQJGLXIJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)I)OC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.046g/mol
Monoisotopic Mass:
261.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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