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Home > Nitro Compounds > 16309-45-8
16309-45-8 | Benzoic acid, 4-(4-nitrophenoxy)-
CAS No: 16309-45-8 Catalog No: AG001TPN MDL No:MFCD00429494
Product Description
Catalog Number:
AG001TPN
Chemical Name:
Benzoic acid, 4-(4-nitrophenoxy)-
CAS Number:
16309-45-8
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD00429494
IUPAC Name:
4-(4-nitrophenoxy)benzoic acid
InChI:
InChI=1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
InChI Key:
XTVBFFGZCMYUJX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
NSC Number:
157675
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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