Cas no 34649-20-2 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid,9CI-amide)
34649-20-2 structure
Product Name:4,5-Dibromo-1H-pyrrole-2-carboxylic acid,9CI-amide
CAS No:34649-20-2
MF:C5H4Br2N2O
MW:267.906059265137
CID:2006678
PubChem ID:14056555
Update Time:2025-04-21
4,5-Dibromo-1H-pyrrole-2-carboxylic acid,9CI-amide Chemical and Physical Properties
Names and Identifiers
-
- 4,5-Dibromo-1H-pyrrole-2-carboxylic acid,9CI-amide
- 4,5-dibromo-pyrrole-2-carboxylic acid amide
- 4,5-dibromopyrrole-2-carbamide
- 4,5-dibromopyrrole-2-carbonamide
- 4,5-dibromopyrrole-2-carboxamide
- 4,5-dibromo-1H-pyrrole-2-carboxamide
- HQK4JP7EWK
- 4,5-Bis(bromanyl)-1H-pyrrole-2-carboxamide
- SMR001216076
- 1H-Pyrrole-2-carboxamide, 4,5-dibromo-
- UNII-HQK4JP7EWK
- CHEMBL356164
- 34649-20-2
- DTXSID30555154
- PD181945
- 4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide
- BDBM50108773
- MLS001250248
-
- Inchi： 1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
- InChI Key： VTWHNVAKXBNGFV-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(N)=O)N1)Br
Computed Properties
- Exact Mass: 267.86699g/mol
- Monoisotopic Mass: 265.86904g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 153
- 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: 1.6
- Topological Polar Surface Area: 58.9?2
4,5-Dibromo-1H-pyrrole-2-carboxylic acid,9CI-amide Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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