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Home > Nitro Compounds > 114461-50-6
114461-50-6 | Thiophene, 2-[(2-nitrophenoxy)methyl]-
CAS No: 114461-50-6 Catalog No: AG000EFU MDL No:
Product Description
Catalog Number:
AG000EFU
Chemical Name:
Thiophene, 2-[(2-nitrophenoxy)methyl]-
CAS Number:
114461-50-6
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
2-[(2-nitrophenoxy)methyl]thiophene
InChI:
InChI=1S/C11H9NO3S/c13-12(14)10-5-1-2-6-11(10)15-8-9-4-3-7-16-9/h1-7H,8H2
InChI Key:
OVLJGKPSFRKOFU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OCc1cccs1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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