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Home > Nitro Compounds > 16309-46-9
16309-46-9 | Benzoic acid, 4-(2-nitrophenoxy)-
CAS No: 16309-46-9 Catalog No: AG00HYU5 MDL No:MFCD09035491
Product Description
Catalog Number:
AG00HYU5
Chemical Name:
Benzoic acid, 4-(2-nitrophenoxy)-
CAS Number:
16309-46-9
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD09035491
IUPAC Name:
4-(2-nitrophenoxy)benzoic acid
InChI:
InChI=1S/C13H9NO5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8H,(H,15,16)
InChI Key:
KLZUMRWYVXVOIM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Oc1ccc(cc1)C(=O)O
Properties
Complexity:
332
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:
2.8
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