Cas no 118429-10-0 (Acetic acid, [(4-bromophenyl)hydrazono]chloro-, methyl ester)
![Acetic acid, [(4-bromophenyl)hydrazono]chloro-, methyl ester structure](https://ossimg.kuujia.com/scimg/118500/118429-10-0x500.png)
118429-10-0 structure
Product Name:Acetic acid, [(4-bromophenyl)hydrazono]chloro-, methyl ester
CAS No:118429-10-0
MF:C9H8BrClN2O2
MW:291.529020309448
CID:1210947
PubChem ID:71339506
Update Time:2025-04-20
Acetic acid, [(4-bromophenyl)hydrazono]chloro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, [(4-bromophenyl)hydrazono]chloro-, methyl ester
- methyl 2-[(4-bromophenyl)hydrazinylidene]-2-chloroacetate
- Methyl [2-(4-bromophenyl)hydrazinylidene](chloro)acetate
- 118429-10-0
- DTXSID70766924
-
- Inchi： 1S/C9H8BrClN2O2/c1-15-9(14)8(11)13-12-7-4-2-6(10)3-5-7/h2-5,12H,1H3
- InChI Key： SOKMINLPGKEBMH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)NN=C(C(=O)OC)Cl
Computed Properties
- Exact Mass: 289.94584
- Monoisotopic Mass: 289.94577g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.5
- Topological Polar Surface Area: 50.7?2
Experimental Properties
- PSA: 50.69
Acetic acid, [(4-bromophenyl)hydrazono]chloro-, methyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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