Cas no 831217-20-0 (Benzoyl chloride, 2,5-diiodo-4-methyl-)
831217-20-0 structure
Product Name:Benzoyl chloride, 2,5-diiodo-4-methyl-
CAS No:831217-20-0
MF:C8H5ClI2O
MW:406.386646032333
CID:677752
PubChem ID:71416314
Update Time:2025-04-19
Benzoyl chloride, 2,5-diiodo-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 2,5-diiodo-4-methyl-
- 2,5-diiodo-4-methylbenzoyl chloride
- DTXSID50835708
- 831217-20-0
-
- Inchi： 1S/C8H5ClI2O/c1-4-2-7(11)5(8(9)12)3-6(4)10/h2-3H,1H3
- InChI Key： OMNJPXOTSZRYFS-UHFFFAOYSA-N
- SMILES： IC1C=C(C(=O)Cl)C(=CC=1C)I
Computed Properties
- Exact Mass: 405.81184g/mol
- Monoisotopic Mass: 405.81184g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 186
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Benzoyl chloride, 2,5-diiodo-4-methyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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