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Home > Nitro Compounds > 79929-23-0
79929-23-0 | Thiophene, 3-nitro-2-[(5-nitro-2-thienyl)thio]-
CAS No: 79929-23-0 Catalog No: AG004Z92 MDL No:
Product Description
Catalog Number:
AG004Z92
Chemical Name:
Thiophene, 3-nitro-2-[(5-nitro-2-thienyl)thio]-
CAS Number:
79929-23-0
Molecular Formula:
C8H4N2O4S3
Molecular Weight:
288.3234
IUPAC Name:
3-nitro-2-(5-nitrothiophen-2-yl)sulfanylthiophene
InChI:
InChI=1S/C8H4N2O4S3/c11-9(12)5-3-4-15-8(5)17-7-2-1-6(16-7)10(13)14/h1-4H
InChI Key:
NBTNYXABVNQMOK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(s1)Sc1sccc1[N+](=O)[O-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.933g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.31g/mol
Monoisotopic Mass:
287.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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