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84653-70-3 | 2-[(5-nitrothiophen-2-yl)methylidene]propanedinitrile
CAS No: 84653-70-3 Catalog No: AG0050FF MDL No:MFCD00175460
Product Description
Catalog Number:
AG0050FF
Chemical Name:
2-[(5-nitrothiophen-2-yl)methylidene]propanedinitrile
CAS Number:
84653-70-3
Molecular Formula:
C8H3N3O2S
Molecular Weight:
205.1933
MDL Number:
MFCD00175460
IUPAC Name:
2-[(5-nitrothiophen-2-yl)methylidene]propanedinitrile
InChI:
InChI=1S/C8H3N3O2S/c9-4-6(5-10)3-7-1-2-8(14-7)11(12)13/h1-3H
InChI Key:
WXXTURWZZJSFKU-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(s1)[N+](=O)[O-])C#N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.191g/mol
Monoisotopic Mass:
204.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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