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90316-10-2 | Benzene, 1,2-bis[(4-iodo-2-nitrophenyl)methoxy]-
CAS No: 90316-10-2 Catalog No: AG006RUV MDL No:
Product Description
Catalog Number:
AG006RUV
Chemical Name:
Benzene, 1,2-bis[(4-iodo-2-nitrophenyl)methoxy]-
CAS Number:
90316-10-2
Molecular Formula:
C20H14I2N2O6
Molecular Weight:
632.1439
IUPAC Name:
4-iodo-1-[[2-[(4-iodo-2-nitrophenyl)methoxy]phenoxy]methyl]-2-nitrobenzene
InChI:
InChI=1S/C20H14I2N2O6/c21-15-7-5-13(17(9-15)23(25)26)11-29-19-3-1-2-4-20(19)30-12-14-6-8-16(22)10-18(14)24(27)28/h1-10H,11-12H2
InChI Key:
OVHULUKLNYOGLS-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)[N+](=O)[O-])COc1ccccc1OCc1ccc(cc1[N+](=O)[O-])I
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
631.894g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
632.149g/mol
Monoisotopic Mass:
631.894g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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