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Home > Nitro Compounds > 205170-72-5
205170-72-5 | 2,2':5',2''-Terthiophene, 3',4'-dinitro-
CAS No: 205170-72-5 Catalog No: AG0029X6 MDL No:
Product Description
Catalog Number:
AG0029X6
Chemical Name:
2,2':5',2''-Terthiophene, 3',4'-dinitro-
CAS Number:
205170-72-5
Molecular Formula:
C12H6N2O4S3
Molecular Weight:
338.3820
IUPAC Name:
3,4-dinitro-2,5-dithiophen-2-ylthiophene
InChI:
InChI=1S/C12H6N2O4S3/c15-13(16)9-10(14(17)18)12(8-4-2-6-20-8)21-11(9)7-3-1-5-19-7/h1-6H
InChI Key:
IPTUQHNCFXOVAT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(sc(c1[N+](=O)[O-])c1cccs1)c1cccs1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.949g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.37g/mol
Monoisotopic Mass:
337.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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