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6277-18-5 | 2-iodo-5-nitrothiophene
CAS No: 6277-18-5 Catalog No: AG01EB4A MDL No:MFCD01851109
Product Description
Catalog Number:
AG01EB4A
Chemical Name:
2-iodo-5-nitrothiophene
CAS Number:
6277-18-5
Molecular Formula:
C4H2INO2S
Molecular Weight:
255.0337
MDL Number:
MFCD01851109
IUPAC Name:
2-iodo-5-nitrothiophene
InChI:
InChI=1S/C4H2INO2S/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChI Key:
IAHMSOROXQKFTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)I
NSC Number:
35340
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.885g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.029g/mol
Monoisotopic Mass:
254.885g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 2-[(2Z,3E)-2-Hy-droxy-imino-5-phenyl-2,3-dihydro-3-thienyl-idene]-2-phenyl-acetonitrile. | Acta crystallographica. Section E, Structure reports online 20100801 |
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