Cas no 159724-47-7 (N-(3-Bromophenyl)-4-tert-butyl-2-nitroaniline)
159724-47-7 structure
Product Name:N-(3-Bromophenyl)-4-tert-butyl-2-nitroaniline
CAS No:159724-47-7
MF:C16H17BrN2O2
MW:349.222383260727
CID:2148068
Update Time:2023-08-04
N-(3-Bromophenyl)-4-tert-butyl-2-nitroaniline Chemical and Physical Properties
Names and Identifiers
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- N-(3-bromophenyl)-4-tert-butyl-2-nitroaniline
- N-(3-Bromophenyl)-4-tert-butyl-2-nitroaniline
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- Inchi： 1S/C16H17BrN2O2/c1-16(2,3)11-7-8-14(15(9-11)19(20)21)18-13-6-4-5-12(17)10-13/h4-10,18H,1-3H3
- InChI Key： BGHHHEINKCAKDY-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)NC1C=CC(=CC=1[N+](=O)[O-])C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 364
- Topological Polar Surface Area: 57.8
N-(3-Bromophenyl)-4-tert-butyl-2-nitroaniline Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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