Cas no 89838-66-4 (Carbonic acid, chloromethyl 3-methylbutyl ester)
89838-66-4 structure
Product Name:Carbonic acid, chloromethyl 3-methylbutyl ester
CAS No:89838-66-4
MF:C7H13ClO3
MW:180.629321813583
CID:587626
PubChem ID:13269181
Update Time:2025-04-19
Carbonic acid, chloromethyl 3-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, chloromethyl 3-methylbutyl ester
- chloromethyl 3-methylbutyl carbonate
- FPOYYYIISJLZRW-UHFFFAOYSA-N
- 89838-66-4
- SCHEMBL697801
- DTXSID50533439
- Chloromethyl 3-methyl-1-butyl carbonate
- Chloromethyl isopentyl carbonate
-
- Inchi: 1S/C7H13ClO3/c1-6(2)3-4-10-7(9)11-5-8/h6H,3-5H2,1-2H3
- InChI Key: FPOYYYIISJLZRW-UHFFFAOYSA-N
- SMILES: ClCOC(=O)OCCC(C)C
Computed Properties
- Exact Mass: 180.0553220g/mol
- Monoisotopic Mass: 180.0553220g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 114
- 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: 2.9
- Topological Polar Surface Area: 35.5?2
Carbonic acid, chloromethyl 3-methylbutyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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