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Home > Aldehydes > 1016976-13-8
1016976-13-8 | Benzaldehyde, 4-iodo-3-nitro-5-(phenylmethoxy)-
CAS No: 1016976-13-8 Catalog No: AG000581 MDL No:
Product Description
Catalog Number:
AG000581
Chemical Name:
Benzaldehyde, 4-iodo-3-nitro-5-(phenylmethoxy)-
CAS Number:
1016976-13-8
Molecular Formula:
C14H10INO4
Molecular Weight:
383.1380
IUPAC Name:
4-iodo-3-nitro-5-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C14H10INO4/c15-14-12(16(18)19)6-11(8-17)7-13(14)20-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
CLJDJBUQNUQMSS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OCc2ccccc2)c(c(c1)[N+](=O)[O-])I
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.965g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.141g/mol
Monoisotopic Mass:
382.965g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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