Cas no 157846-99-6 ((1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone)
157846-99-6 structure
Product Name:(1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone
CAS No:157846-99-6
MF:C12H10N2O3
MW:230.21940279007
CID:2779803
PubChem ID:2308030
Update Time:2025-04-21
(1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone Chemical and Physical Properties
Names and Identifiers
-
- BCYUCOTXUBWXBX-UHFFFAOYSA-N
- DTXSID70368003
- (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)-methanone
- 157846-99-6
- Oprea1_354546
- Z56774154
- SCHEMBL6324751
- AKOS003629934
- (4-nitro-phenyl)-(1-methyl-1H-pyrrol-2-yl)-methanone
- DTXCID80319041
- (1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone
-
- Inchi： 1S/C12H10N2O3/c1-13-8-2-3-11(13)12(15)9-4-6-10(7-5-9)14(16)17/h2-8H,1H3
- InChI Key： BCYUCOTXUBWXBX-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)[N+](=O)[O-])C1=CC=CN1C
Computed Properties
- Exact Mass: 230.06914219Da
- Monoisotopic Mass: 230.06914219Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 305
- 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: 2.2
- Topological Polar Surface Area: 67.8?2
(1-Methyl-1H-pyrrol-2-yl)(4-nitrophenyl)methanone Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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