Cas no 22132-48-5 (Carbonochloridic acid, 3-(chloromethyl)phenyl ester)
22132-48-5 structure
Product Name:Carbonochloridic acid, 3-(chloromethyl)phenyl ester
CAS No:22132-48-5
MF:C8H6Cl2O2
MW:205.03804063797
CID:2836355
PubChem ID:11321684
Update Time:2025-04-21
Carbonochloridic acid, 3-(chloromethyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70462277
- Carbonochloridic acid, 3-(chloromethyl)phenyl ester
- SCHEMBL5665727
- 3-chloromethylphenyl chloroformate
- 22132-48-5
- HTKPPYYBNUEPML-UHFFFAOYSA-N
-
- Inchi： 1S/C8H6Cl2O2/c9-5-6-2-1-3-7(4-6)12-8(10)11/h1-4H,5H2
- InChI Key： HTKPPYYBNUEPML-UHFFFAOYSA-N
- SMILES： ClCC1C=CC=C(C=1)OC(=O)Cl
Computed Properties
- Exact Mass: 203.9744848g/mol
- Monoisotopic Mass: 203.9744848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 161
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Carbonochloridic acid, 3-(chloromethyl)phenyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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