Cas no 1229247-80-6 ((4-Bromo-benzyl)-(5-methyl-2-nitro-phenyl)-amine)
1229247-80-6 structure
Product Name:(4-Bromo-benzyl)-(5-methyl-2-nitro-phenyl)-amine
CAS No:1229247-80-6
MF:C14H13BrN2O2
MW:321.169222593308
CID:2128136
Update Time:2023-08-04
(4-Bromo-benzyl)-(5-methyl-2-nitro-phenyl)-amine Chemical and Physical Properties
Names and Identifiers
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- (4-bromo-benzyl)-(5-methyl-2-nitro-phenyl)-amine
- IKTSVORVUOMBPC-UHFFFAOYSA-N
- (4-Bromo-benzyl)-(5-methyl-2-nitro-phenyl)-amine
-
- Inchi： 1S/C14H13BrN2O2/c1-10-2-7-14(17(18)19)13(8-10)16-9-11-3-5-12(15)6-4-11/h2-8,16H,9H2,1H3
- InChI Key： IKTSVORVUOMBPC-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)CNC1C=C(C)C=CC=1[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 300
- Topological Polar Surface Area: 57.8
(4-Bromo-benzyl)-(5-methyl-2-nitro-phenyl)-amine Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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