Cas no 850139-86-5 (N/A)
N/A structure
Product Name:N/A
CAS No:850139-86-5
MF:C12H8Cl4N2O4
MW:386.014919281006
CID:2065697
PubChem ID:11303705
Update Time:2025-04-21
N/A Chemical and Physical Properties
Names and Identifiers
-
- (-)-Pyrrolomycin H
- pyrrolomycin h
- CHEMBL513636
- CHEBI:222702
- (S)-(3,5-dichloro-2-methoxyphenyl)-(4,5-dichloro-3-nitro-1H-pyrrol-2-yl)methanol
- 850139-86-5
- N/A
-
- Inchi： 1S/C12H8Cl4N2O4/c1-22-11-5(2-4(13)3-6(11)14)10(19)8-9(18(20)21)7(15)12(16)17-8/h2-3,10,17,19H,1H3
- InChI Key： VVULWSWLJUXPTK-UHFFFAOYSA-N
- SMILES： COC1C(C(C2=C([N+](=O)[O-])C(Cl)=C(Cl)N2)O)=CC(Cl)=CC=1Cl
Computed Properties
- Exact Mass: 385.920867Da
- Monoisotopic Mass: 383.923818Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 413
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.357
- Topological Polar Surface Area: 91.1?2
N/A Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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