Cas no 713-94-0 (3-(Trichloromethyl)phenyl carbonochloridate)
713-94-0 structure
Product Name:3-(Trichloromethyl)phenyl carbonochloridate
CAS No:713-94-0
MF:C8H4Cl4O2
MW:273.928158760071
CID:2799905
PubChem ID:13799067
Update Time:2025-04-21
3-(Trichloromethyl)phenyl carbonochloridate Chemical and Physical Properties
Names and Identifiers
-
- 3-(Trichloromethyl)phenyl carbonochloridate
- SCHEMBL10798058
- DTXSID20549820
- 713-94-0
-
- Inchi： 1S/C8H4Cl4O2/c9-7(13)14-6-3-1-2-5(4-6)8(10,11)12/h1-4H
- InChI Key： HLERIMHXNJKPSD-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC=C(C=1)OC(=O)Cl)(Cl)Cl
Computed Properties
- Exact Mass: 273.893590g/mol
- Monoisotopic Mass: 271.896540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 214
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
3-(Trichloromethyl)phenyl carbonochloridate Related Literature
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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