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30549-01-0 | Thiophene, 3,5-dinitro-2-phenoxy-
CAS No: 30549-01-0 Catalog No: AG0030I7 MDL No:
Product Description
Catalog Number:
AG0030I7
Chemical Name:
Thiophene, 3,5-dinitro-2-phenoxy-
CAS Number:
30549-01-0
Molecular Formula:
C10H6N2O5S
Molecular Weight:
266.2300
IUPAC Name:
3,5-dinitro-2-phenoxythiophene
InChI:
InChI=1S/C10H6N2O5S/c13-11(14)8-6-9(12(15)16)18-10(8)17-7-4-2-1-3-5-7/h1-6H
InChI Key:
PCKJPSWHMKXENB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(sc1Oc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.227g/mol
Monoisotopic Mass:
266g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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