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Home > Nitro Compounds > 16689-02-4
16689-02-4 | 2-Thiophenecarbonitrile, 5-nitro-
CAS No: 16689-02-4 Catalog No: AG001WZE MDL No:MFCD00052401
Product Description
Catalog Number:
AG001WZE
Chemical Name:
2-Thiophenecarbonitrile, 5-nitro-
CAS Number:
16689-02-4
Molecular Formula:
C5H2N2O2S
Molecular Weight:
154.1466
MDL Number:
MFCD00052401
IUPAC Name:
5-nitrothiophene-2-carbonitrile
InChI:
InChI=1S/C5H2N2O2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
InChI Key:
FLYONFCGDKAMIH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.143g/mol
Monoisotopic Mass:
153.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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