Cas no 22132-62-3 (4-Chloro-2-(chloromethyl)phenyl carbonochloridate)
22132-62-3 structure
Product Name:4-Chloro-2-(chloromethyl)phenyl carbonochloridate
CAS No:22132-62-3
MF:C8H5Cl3O2
MW:239.48309969902
CID:2836356
PubChem ID:21397592
Update Time:2025-04-21
4-Chloro-2-(chloromethyl)phenyl carbonochloridate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL11715207
- 4-Chloro-2-(chloromethyl)phenyl carbonochloridate
- DTXCID60563803
- DTXSID50613048
- 22132-62-3
-
- Inchi： 1S/C8H5Cl3O2/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3H,4H2
- InChI Key： NFZIXCDHYSWJBY-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C=CC=1OC(=O)Cl)Cl
Computed Properties
- Exact Mass: 237.935512Da
- Monoisotopic Mass: 237.935512Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
4-Chloro-2-(chloromethyl)phenyl carbonochloridate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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