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Home > Nitro Compounds > 30807-46-6
30807-46-6 | Thiophene, 2-(2-nitroethyl)-
CAS No: 30807-46-6 Catalog No: AG0031CQ MDL No:MFCD19347177
Product Description
Catalog Number:
AG0031CQ
Chemical Name:
Thiophene, 2-(2-nitroethyl)-
CAS Number:
30807-46-6
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD19347177
IUPAC Name:
2-(2-nitroethyl)thiophene
InChI:
InChI=1S/C6H7NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2
InChI Key:
WKCJBZNTEAWBAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1cccs1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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