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159334-00-6 | 2-Phenoxy-3-nitrothiophene
CAS No: 159334-00-6 Catalog No: AG01FFGV MDL No:
Product Description
Catalog Number:
AG01FFGV
Chemical Name:
2-Phenoxy-3-nitrothiophene
CAS Number:
159334-00-6
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
IUPAC Name:
3-nitro-2-phenoxythiophene
InChI:
InChI=1S/C10H7NO3S/c12-11(13)9-6-7-15-10(9)14-8-4-2-1-3-5-8/h1-7H
InChI Key:
QPCFVEFHIHJDEK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccsc1Oc1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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