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89677-78-1 | Benzene,2-iodo-5-methoxy-1,3-dinitro-
CAS No: 89677-78-1 Catalog No: AG0044I6 MDL No:
Product Description
Catalog Number:
AG0044I6
Chemical Name:
Benzene,2-iodo-5-methoxy-1,3-dinitro-
CAS Number:
89677-78-1
Molecular Formula:
C7H5IN2O5
Molecular Weight:
324.0295
IUPAC Name:
2-iodo-5-methoxy-1,3-dinitrobenzene
InChI:
InChI=1S/C7H5IN2O5/c1-15-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3
InChI Key:
PKBGJAOYYBZPBH-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])I
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.924g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.03g/mol
Monoisotopic Mass:
323.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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