Cas no 1076-25-1 (Benzenamine, 3-(chloromethyl)-2,4,6-triiodo-)
1076-25-1 structure
Product Name:Benzenamine, 3-(chloromethyl)-2,4,6-triiodo-
CAS No:1076-25-1
MF:C7H5ClI3N
MW:519.287717580795
CID:1183692
PubChem ID:12315817
Update Time:2025-04-20
Benzenamine, 3-(chloromethyl)-2,4,6-triiodo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-(chloromethyl)-2,4,6-triiodo-
- 3-(chloromethyl)-2,4,6-triiodoaniline
- SCHEMBL9001840
- 1076-25-1
- DTXSID70487521
-
- Inchi： 1S/C7H5ClI3N/c8-2-3-4(9)1-5(10)7(12)6(3)11/h1H,2,12H2
- InChI Key： YTDOYYPORSPYKL-UHFFFAOYSA-N
- SMILES： IC1C(=C(C=C(C=1CCl)I)I)N
Computed Properties
- Exact Mass: 518.7245g/mol
- Monoisotopic Mass: 518.7245g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 3.6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02000
- LogP: 4.40260
Benzenamine, 3-(chloromethyl)-2,4,6-triiodo- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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