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5458-84-4 | 1-Iodo-2-methoxy-4-nitrobenzene
CAS No: 5458-84-4 Catalog No: AG003HGL MDL No:MFCD00024590
Product Description
Catalog Number:
AG003HGL
Chemical Name:
1-Iodo-2-methoxy-4-nitrobenzene
CAS Number:
5458-84-4
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD00024590
IUPAC Name:
1-iodo-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C7H6INO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChI Key:
RBFWMPRFYROKPI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1I)[N+](=O)[O-]
NSC Number:
24644
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.939g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.033g/mol
Monoisotopic Mass:
278.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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