Cas no 50371-55-6 (2,2-dichloro-1-(1H-pyrrol-2-yl)-Ethanone)
50371-55-6 structure
Product Name:2,2-dichloro-1-(1H-pyrrol-2-yl)-Ethanone
CAS No:50371-55-6
MF:C6H5Cl2NO
MW:178.015999555588
CID:933652
PubChem ID:21529221
Update Time:2025-04-19
2,2-dichloro-1-(1H-pyrrol-2-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dichloro-1-(1H-pyrrol-2-yl)-Ethanone
- 2,2-dichloro-1-(1H-pyrrol-2-yl)ethanone
- Ethanone, 2,2-dichloro-1-(1H-pyrrol-2-yl)- (9CI)
- 50371-55-6
- 2,2-Dichloro-1-(1H-pyrrol-2-yl)ethan-1-one
- SCHEMBL11816002
- DTXSID90615647
-
- Inchi： 1S/C6H5Cl2NO/c7-6(8)5(10)4-2-1-3-9-4/h1-3,6,9H
- InChI Key： DPAQJCZYOVBCMI-UHFFFAOYSA-N
- SMILES： ClC(C(C1=CC=CN1)=O)Cl
Computed Properties
- Exact Mass: 176.9748192g/mol
- Monoisotopic Mass: 176.9748192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 138
- 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: 2.3
- Topological Polar Surface Area: 32.9?2
2,2-dichloro-1-(1H-pyrrol-2-yl)-Ethanone 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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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