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Home > Nitro Compounds > 34312-77-1
34312-77-1 | Thiophene, 2-[(1E)-2-nitroethenyl]-
CAS No: 34312-77-1 Catalog No: AG00I6RY MDL No:MFCD00069434
Product Description
Catalog Number:
AG00I6RY
Chemical Name:
Thiophene, 2-[(1E)-2-nitroethenyl]-
CAS Number:
34312-77-1
MDL Number:
MFCD00069434
IUPAC Name:
2-[(E)-2-nitroethenyl]thiophene
InChI:
InChI=1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H/b4-3+
InChI Key:
UTPOWFFIBWOQRK-ONEGZZNKSA-N
EC Number:
212-867-4
NSC Number:
22059
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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