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Home > Nitro Compounds > 82720-94-3
82720-94-3 | Phenol, 4-(3-nitrophenoxy)-
CAS No: 82720-94-3 Catalog No: AG0059TP MDL No:
Product Description
Catalog Number:
AG0059TP
Chemical Name:
Phenol, 4-(3-nitrophenoxy)-
CAS Number:
82720-94-3
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
IUPAC Name:
4-(3-nitrophenoxy)phenol
InChI:
InChI=1S/C12H9NO4/c14-10-4-6-11(7-5-10)17-12-3-1-2-9(8-12)13(15)16/h1-8,14H
InChI Key:
NZHLVKVLXNJORY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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