Cas no 228401-44-3 (Benzoic acid, 2-methoxy-5-(4-nitrophenoxy)-)
228401-44-3 structure
Product Name:Benzoic acid, 2-methoxy-5-(4-nitrophenoxy)-
CAS No:228401-44-3
MF:C14H11NO6
MW:289.240244150162
CID:1412336
PubChem ID:23023063
Update Time:2025-04-20
Benzoic acid, 2-methoxy-5-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methoxy-5-(4-nitrophenoxy)-
- 2-methoxy-5-(4-nitrophenoxy)benzoic acid
- UHPIQIWWKDEWGO-UHFFFAOYSA-N
- 4-(3-carboxy-4-methoxyphenoxy)-l-nitrobenzene
- DTXSID60629852
- SCHEMBL177777
- 228401-44-3
- 4-(3-carboxy-4-methoxyphenoxy)-1-nitrobenzene
- DB-182359
-
- Inchi： 1S/C14H11NO6/c1-20-13-7-6-11(8-12(13)14(16)17)21-10-4-2-9(3-5-10)15(18)19/h2-8H,1H3,(H,16,17)
- InChI Key： UHPIQIWWKDEWGO-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C1=CC=C(C(C(=O)O)=C1)OC
Computed Properties
- Exact Mass: 289.05863707g/mol
- Monoisotopic Mass: 289.05863707g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 374
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 102?2
Benzoic acid, 2-methoxy-5-(4-nitrophenoxy)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
228401-44-3 (Benzoic acid, 2-methoxy-5-(4-nitrophenoxy)-) Related Products
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