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Home > Aldehydes > 1021493-53-7
1021493-53-7 | Benzaldehyde, 4-iodo-3-methoxy-5-nitro-
CAS No: 1021493-53-7 Catalog No: AG0006QU MDL No:MFCD19441865
Product Description
Catalog Number:
AG0006QU
Chemical Name:
Benzaldehyde, 4-iodo-3-methoxy-5-nitro-
CAS Number:
1021493-53-7
Molecular Formula:
C8H6INO4
Molecular Weight:
307.0420
MDL Number:
MFCD19441865
IUPAC Name:
4-iodo-3-methoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H6INO4/c1-14-7-3-5(4-11)2-6(8(7)9)10(12)13/h2-4H,1H3
InChI Key:
WVDDJASTMZNUNH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(c(c1)[N+](=O)[O-])I
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.934g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.043g/mol
Monoisotopic Mass:
306.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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