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52692-09-8 | 4-Iodo-2-nitroanisole
CAS No: 52692-09-8 Catalog No: AG00D81P MDL No:MFCD08060933
Product Description
Catalog Number:
AG00D81P
Chemical Name:
4-Iodo-2-nitroanisole
CAS Number:
52692-09-8
Molecular Formula:
C7H6INO3
Molecular Weight:
279.0319
MDL Number:
MFCD08060933
IUPAC Name:
4-iodo-1-methoxy-2-nitrobenzene
InChI:
InChI=1S/C7H6INO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
InChI Key:
WULXGCDMVLQZBT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])I
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
Literature
| Title | Journal |
|---|---|
| 1,8-Bis(4-meth-oxy-3-nitro-phen-yl)naphthalene. | Acta crystallographica. Section E, Structure reports online 20111001 |
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