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55215-55-9 | 1,4-Diiodo-2-methoxy-5-nitrobenzene
CAS No: 55215-55-9 Catalog No: AG00I9UL MDL No:MFCD28792695
Product Description
Catalog Number:
AG00I9UL
Chemical Name:
1,4-Diiodo-2-methoxy-5-nitrobenzene
CAS Number:
55215-55-9
Molecular Formula:
C7H5I2NO3
Molecular Weight:
404.9284
MDL Number:
MFCD28792695
IUPAC Name:
1,4-diiodo-2-methoxy-5-nitrobenzene
InChI:
InChI=1S/C7H5I2NO3/c1-13-7-3-4(8)6(10(11)12)2-5(7)9/h2-3H,1H3
InChI Key:
FHHITWDCJKUHAS-UHFFFAOYSA-N
SMILES:
COc1cc(I)c(cc1I)[N+](=O)[O-]
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.836g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.93g/mol
Monoisotopic Mass:
404.836g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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