Cas no 7697-48-5 ((3-chlorophenyl)-(1h-pyrrol-2-yl)methanone)
7697-48-5 structure
Product Name:(3-chlorophenyl)-(1h-pyrrol-2-yl)methanone
CAS No:7697-48-5
MF:C11H8ClNO
MW:205.640321731567
CID:1782728
PubChem ID:21576138
Update Time:2025-04-21
(3-chlorophenyl)-(1h-pyrrol-2-yl)methanone Chemical and Physical Properties
Names and Identifiers
-
- (3-chlorophenyl)-(1H-pyrrol-2-yl)methanone
- (3-CHLOROPHENYL)(1H-PYRROL-2-YL)METHANONE
- 2-(3-CHLOROBENZOYL)PYRROLE
- CTK9A4428
- SureCN9772454
- 2-(3-Chlor-benzoyl)-pyrrol
- Pyrrol-2-yl-(3-chlorphenyl)-keton
- AB52881
- METHANONE, (3-CHLOROPHENYL)-1H-PYRROL-2-YL-
- (3-chloro-phenyl)-pyrrol-2-yl-methanone
- 7697-48-5
- SCHEMBL9772454
- DTXSID201274000
- AKOS013058950
- (3-Chlorophenyl)-1H-pyrrol-2-ylmethanone
- (3-chlorophenyl)-(1h-pyrrol-2-yl)methanone
-
- Inchi： 1S/C11H8ClNO/c12-9-4-1-3-8(7-9)11(14)10-5-2-6-13-10/h1-7,13H
- InChI Key： JNQRGIQAGKVUOK-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C(C1=CC=CN1)=O
Computed Properties
- Exact Mass: 205.02954
- Monoisotopic Mass: 205.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 3
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
(3-chlorophenyl)-(1h-pyrrol-2-yl)methanone Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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