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832737-22-1 | 4-(4-Iodo-phenoxymethyl)-1-nitro-benzene
CAS No: 832737-22-1 Catalog No: AG01EXL7 MDL No:
Product Description
Catalog Number:
AG01EXL7
Chemical Name:
4-(4-Iodo-phenoxymethyl)-1-nitro-benzene
CAS Number:
832737-22-1
Molecular Formula:
C13H10INO3
Molecular Weight:
355.1279
IUPAC Name:
1-[(4-iodophenoxy)methyl]-4-nitrobenzene
InChI:
InChI=1S/C13H10INO3/c14-11-3-7-13(8-4-11)18-9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2
InChI Key:
GRXNZZJAKOZNMN-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.131g/mol
Monoisotopic Mass:
354.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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