Cas no 61381-88-2 (Benzenamine, 4-(4-aminophenoxy)-2-bromo-)
61381-88-2 structure
Product Name:Benzenamine, 4-(4-aminophenoxy)-2-bromo-
CAS No:61381-88-2
MF:C12H11BrN2O
MW:279.132541894913
CID:481482
PubChem ID:4034513
Update Time:2025-04-19
Benzenamine, 4-(4-aminophenoxy)-2-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-(4-aminophenoxy)-2-bromo-
- 4-(4-aminophenoxy)-2-bromoaniline
- 61381-88-2
- DTXSID50398666
- Oprea1_121512
- SCHEMBL7187516
-
- Inchi： 1S/C12H11BrN2O/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7H,14-15H2
- InChI Key： FCRGSQLTNYRFIE-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)OC1C=CC(=CC=1)N)N
Computed Properties
- Exact Mass: 278.00553
- Monoisotopic Mass: 278.00548g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 2.8
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- PSA: 61.27
Benzenamine, 4-(4-aminophenoxy)-2-bromo- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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