Cas no 475272-63-0 (6-(Benzyloxy)-5-nitropicolinic Acid)
475272-63-0 structure
Product Name:6-(Benzyloxy)-5-nitropicolinic Acid
CAS No:475272-63-0
MF:C13H10N2O5
MW:274.22890329361
CID:2125244
Update Time:2023-08-04
6-(Benzyloxy)-5-nitropicolinic Acid Chemical and Physical Properties
Names and Identifiers
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- 6-(benzyloxy)-5-nitropicolinic acid
- PHKLKEKFKXTMOR-UHFFFAOYSA-N
- 6-(Benzyloxy)-5-nitropicolinic Acid
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- Inchi： 1S/C13H10N2O5/c16-13(17)10-6-7-11(15(18)19)12(14-10)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
- InChI Key： PHKLKEKFKXTMOR-UHFFFAOYSA-N
- SMILES： O(C1C(=CC=C(C(=O)O)N=1)[N+](=O)[O-])CC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 351
- Topological Polar Surface Area: 105
6-(Benzyloxy)-5-nitropicolinic Acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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