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Home > Nitro Compounds > 859492-27-6
859492-27-6 | 2-Ethoxy-3-nitrothiophene
CAS No: 859492-27-6 Catalog No: AG01EXUR MDL No:
Product Description
Catalog Number:
AG01EXUR
Chemical Name:
2-Ethoxy-3-nitrothiophene
CAS Number:
859492-27-6
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
IUPAC Name:
2-ethoxy-3-nitrothiophene
InChI:
InChI=1S/C6H7NO3S/c1-2-10-6-5(7(8)9)3-4-11-6/h3-4H,2H2,1H3
InChI Key:
LJSPOVJGQGWQEB-UHFFFAOYSA-N
SMILES:
CCOc1sccc1[N+](=O)[O-]
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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