Cas no 838855-56-4 (Phenol, 4-(1-methyl-3H-benz[e]indazol-5-yl)-)
![Phenol, 4-(1-methyl-3H-benz[e]indazol-5-yl)- structure](https://ossimg.kuujia.com/scimg/839000/838855-56-4x500.png)
838855-56-4 structure
Product Name:Phenol, 4-(1-methyl-3H-benz[e]indazol-5-yl)-
CAS No:838855-56-4
MF:C18H14N2O
MW:274.316564083099
CID:1813967
PubChem ID:135991041
Update Time:2025-04-21
Phenol, 4-(1-methyl-3H-benz[e]indazol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(1-methyl-3H-benz[e]indazol-5-yl)-
- 4-(1-methyl-3H-benzo[e]indazol-5-yl)phenol
- DB-357306
- SCHEMBL1057315
- VOGVXTWDWOZSMD-UHFFFAOYSA-N
- 838855-56-4
-
- Inchi： 1S/C18H14N2O/c1-11-18-15-5-3-2-4-14(15)16(10-17(18)20-19-11)12-6-8-13(21)9-7-12/h2-10,21H,1H3,(H,19,20)
- InChI Key： VOGVXTWDWOZSMD-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C1=CC2C(=C(C)NN=2)C2C=CC=CC=21
Computed Properties
- Exact Mass: 274.110613074g/mol
- Monoisotopic Mass: 274.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 366
- 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: 4.5
- Topological Polar Surface Area: 48.9?2
Phenol, 4-(1-methyl-3H-benz[e]indazol-5-yl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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