Cas no 1149388-06-6 (Methyl 7-methyl-1H-benzotriazole-6-carboxylate)
1149388-06-6 structure
Product Name:Methyl 7-methyl-1H-benzotriazole-6-carboxylate
CAS No:1149388-06-6
MF:C9H9N3O2
MW:191.186661481857
CID:2147568
Update Time:2023-08-04
Methyl 7-methyl-1H-benzotriazole-6-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 7-methyl-1H-benzotriazole-6-carboxylate
- NYFLCIHWJJVVKI-UHFFFAOYSA-N
- Methyl 7-methyl-1H-benzotriazole-6-carboxylate
-
- Inchi： 1S/C9H9N3O2/c1-5-6(9(13)14-2)3-4-7-8(5)11-12-10-7/h3-4H,1-2H3,(H,10,11,12)
- InChI Key： NYFLCIHWJJVVKI-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC2C(C=1C)=NNN=2)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 234
- Topological Polar Surface Area: 67.9
Methyl 7-methyl-1H-benzotriazole-6-carboxylate Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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