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98991-08-3 | 2-IODO-1-METHOXY-3-NITRO-BENZENE
CAS No: 98991-08-3 Catalog No: AG006PJZ MDL No:MFCD11656709
Product Description
Catalog Number:
AG006PJZ
Chemical Name:
2-IODO-1-METHOXY-3-NITRO-BENZENE
CAS Number:
98991-08-3
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD11656709
IUPAC Name:
2-iodo-1-methoxy-3-nitrobenzene
InChI:
InChI=1S/C7H6INO3/c1-12-6-4-2-3-5(7(6)8)9(10)11/h2-4H,1H3
InChI Key:
IJNNDGXIXMHYOG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1I)[N+](=O)[O-]
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:
3
Literature
| Title | Journal |
|---|---|
| 2,2'-Dimeth-oxy-6,6'-dinitro-biphen-yl. | Acta crystallographica. Section E, Structure reports online 20091001 |
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