Cas no 537041-76-2 (1H-Pyrrole-2,5-dicarboxylic acid, 3,4-bis(7-chloro-1H-indol-3-yl)-)
537041-76-2 structure
Product Name:1H-Pyrrole-2,5-dicarboxylic acid, 3,4-bis(7-chloro-1H-indol-3-yl)-
CAS No:537041-76-2
MF:C22H13Cl2N3O4
MW:454.262323141098
CID:1584126
PubChem ID:25246329
Update Time:2025-04-21
1H-Pyrrole-2,5-dicarboxylic acid, 3,4-bis(7-chloro-1H-indol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,5-dicarboxylic acid, 3,4-bis(7-chloro-1H-indol-3-yl)-
- 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
- CHEBI:59196
- 2CC
- dichlorochromopyrrolic acid
- DB06955
- PD005745
- C19698
- 537041-76-2
- DTXSID90649462
- SCHEMBL21067626
- Q27095865
- 3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate
- NS00072743
- 11,11'-Dichlorochromopyrrolic Acid
-
- Inchi： 1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)
- InChI Key： OAMCCJASDLMTOO-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C1NC=C2C1=C(C(=O)O)NC(C(=O)O)=C1C1=CNC2C(=CC=CC1=2)Cl
Computed Properties
- Exact Mass: 453.02849
- Monoisotopic Mass: 453.0283113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 669
- 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: 5.2
- Topological Polar Surface Area: 122?2
Experimental Properties
- PSA: 121.97
1H-Pyrrole-2,5-dicarboxylic acid, 3,4-bis(7-chloro-1H-indol-3-yl)- Related Literature
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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