Cas no 406728-86-7 (1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(4-FLUOROPHENYL)METHYL]-)
![1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(4-FLUOROPHENYL)METHYL]- structure](https://ossimg.kuujia.com/scimg/407000/406728-86-7x500.png)
406728-86-7 structure
Product Name:1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(4-FLUOROPHENYL)METHYL]-
CAS No:406728-86-7
MF:C12H10FNO2
MW:219.211706638336
CID:3235408
PubChem ID:18627068
Update Time:2025-04-21
1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(4-FLUOROPHENYL)METHYL]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(4-FLUOROPHENYL)METHYL]-
- MFCD12181402
- 1-(4-Fluorobenzyl)-pyrrole-2-carboxylic acid
- 1-[(4-FLUOROPHENYL)METHYL]PYRROLE-2-CARBOXYLIC ACID
- PDFAKAUXPIKVFC-UHFFFAOYSA-N
- 1-(4-Fluorobenzyl)-1H-pyrrole-2-carboxylic acid
- ALBB-019941
- 831-812-0
- AKOS000265037
- 406728-86-7
- 1-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxylic acid
- SCHEMBL1606703
- 1-((4-fluorophenyl)methyl)-1H-pyrrole-2-carboxylic acid
- DB-131857
- CCG-138937
-
- Inchi： 1S/C12H10FNO2/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(14)12(15)16/h1-7H,8H2,(H,15,16)
- InChI Key： PDFAKAUXPIKVFC-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)CN1C=CC=C1C(=O)O
Computed Properties
- Exact Mass: 219.06955672Da
- Monoisotopic Mass: 219.06955672Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 42.2?2
1H-PYRROLE-2-CARBOXYLIC ACID, 1-[(4-FLUOROPHENYL)METHYL]- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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