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Home > Nitro Compounds > 39565-00-9
39565-00-9 | 1-(5-Nitrothiophen-2-yl)ethanone
CAS No: 39565-00-9 Catalog No: AG003GB3 MDL No:MFCD00041211
Product Description
Catalog Number:
AG003GB3
Chemical Name:
1-(5-Nitrothiophen-2-yl)ethanone
CAS Number:
39565-00-9
Molecular Formula:
C6H5NO3S
Molecular Weight:
171.1738
MDL Number:
MFCD00041211
IUPAC Name:
1-(5-nitrothiophen-2-yl)ethanone
InChI:
InChI=1S/C6H5NO3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3
InChI Key:
CMXUIQITENCDHH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.17g/mol
Monoisotopic Mass:
170.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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