Cas no 7512-50-7 (2,5-Cyclohexadien-1-one,4-(1-naphthalenylimino)-)
7512-50-7 structure
Product Name:2,5-Cyclohexadien-1-one,4-(1-naphthalenylimino)-
CAS No:7512-50-7
MF:C16H11NO
MW:233.264643907547
CID:580639
PubChem ID:344315
Update Time:2025-04-19
2,5-Cyclohexadien-1-one,4-(1-naphthalenylimino)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one,4-(1-naphthalenylimino)-
- 4-naphthalen-1-yliminocyclohexa-2,5-dien-1-one
- [1,4]Benzochinon-mono-[1]naphthylimin
- [1,4]benzoquinone-mono-[1]naphthylimine
- AC1L809W
- N-(1-naphthyl)-1,4-benzoquinone monoimine
- NSC401167
- SureCN5513677
- DTXSID20322397
- 4-(1-naphthylimino)-2,5-cyclohexadien-1-one
- NSC-401167
- YWLISQXKZWECAU-UHFFFAOYSA-N
- SCHEMBL5513677
- 7512-50-7
-
- Inchi： 1S/C16H11NO/c18-14-10-8-13(9-11-14)17-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
- InChI Key： YWLISQXKZWECAU-UHFFFAOYSA-N
- SMILES： O=C1C=C/C(/C=C1)=N\C1=CC=CC2=CC=CC=C21
Computed Properties
- Exact Mass: 233.08413
- Monoisotopic Mass: 233.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 401
- 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: 2.9
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
- LogP: 3.60740
2,5-Cyclohexadien-1-one,4-(1-naphthalenylimino)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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