Cas no 116995-73-4 (Benzenamine, 5-(4-aminophenoxy)-2-chloro-)
116995-73-4 structure
Product Name:Benzenamine, 5-(4-aminophenoxy)-2-chloro-
CAS No:116995-73-4
MF:C12H11ClN2O
MW:234.68154168129
CID:1210495
PubChem ID:4159811
Update Time:2025-04-20
Benzenamine, 5-(4-aminophenoxy)-2-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 5-(4-aminophenoxy)-2-chloro-
- 5-(4-aminophenoxy)-2-chloroaniline
- 116995-73-4
- DTXSID00400086
-
- Inchi： 1S/C12H11ClN2O/c13-11-6-5-10(7-12(11)15)16-9-3-1-8(14)2-4-9/h1-7H,14-15H2
- InChI Key： KLAJWJOCOHSJQD-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1N)OC1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 234.0559907g/mol
- Monoisotopic Mass: 234.0559907g/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: 2.4
- Topological Polar Surface Area: 61.3?2
Benzenamine, 5-(4-aminophenoxy)-2-chloro- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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