Cas no 122453-99-0 (1H-PYRROLE-2-CARBOXALDEHYDE, 3-(4-CHLOROPHENYL)-)
122453-99-0 structure
Product Name:1H-PYRROLE-2-CARBOXALDEHYDE, 3-(4-CHLOROPHENYL)-
CAS No:122453-99-0
MF:C11H8ClNO
MW:205.640321731567
CID:3235295
PubChem ID:15753017
Update Time:2025-04-21
1H-PYRROLE-2-CARBOXALDEHYDE, 3-(4-CHLOROPHENYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRROLE-2-CARBOXALDEHYDE, 3-(4-CHLOROPHENYL)-
- 3-(4-Chlorophenyl)-1H-pyrrole-2-carboxaldehyde
- SCHEMBL4002834
- 122453-99-0
- DTXSID901247333
- AKOS000368985
- KQMRUVUQLNUIDR-UHFFFAOYSA-N
- 3-(p-chlorophenyl)-pyrrole-2-carboxaldehyde
-
- Inchi: 1S/C11H8ClNO/c12-9-3-1-8(2-4-9)10-5-6-13-11(10)7-14/h1-7,13H
- InChI Key: KQMRUVUQLNUIDR-UHFFFAOYSA-N
- SMILES: N1C=CC(C2=CC=C(Cl)C=C2)=C1C=O
Computed Properties
- Exact Mass: 205.0294416Da
- Monoisotopic Mass: 205.0294416Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 2.8
- Topological Polar Surface Area: 32.9?2
1H-PYRROLE-2-CARBOXALDEHYDE, 3-(4-CHLOROPHENYL)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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