Cas no 90593-26-3 (Benzenamine, 4-(2,6-dichlorophenoxy)-)
90593-26-3 structure
Product Name:Benzenamine, 4-(2,6-dichlorophenoxy)-
CAS No:90593-26-3
MF:C12H9Cl2NO
MW:254.111961126328
CID:749787
PubChem ID:14896029
Update Time:2025-04-19
Benzenamine, 4-(2,6-dichlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-(2,6-dichlorophenoxy)-
- 4-(2,6-dichlorophenoxy)aniline
- SCHEMBL23061547
- DTXSID20565085
- 4-aminophenyl 2,6-dichlorophenyl ether
- 90593-26-3
-
- Inchi： 1S/C12H9Cl2NO/c13-10-2-1-3-11(14)12(10)16-9-6-4-8(15)5-7-9/h1-7H,15H2
- InChI Key： ZORVAFDYGLBTEI-UHFFFAOYSA-N
- SMILES： ClC1C=CC=C(C=1OC1C=CC(=CC=1)N)Cl
Computed Properties
- Exact Mass: 253.0061193g/mol
- Monoisotopic Mass: 253.0061193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 209
- 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: 3.6
- Topological Polar Surface Area: 35.2?2
Benzenamine, 4-(2,6-dichlorophenoxy)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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