Cas no 1253790-93-0 (3-Bromoquinoline-4-carbonitrile)
1253790-93-0 structure
Product Name:3-Bromoquinoline-4-carbonitrile
CAS No:1253790-93-0
MF:C10H5BrN2
MW:233.064100980759
CID:1069389
PubChem ID:49757956
Update Time:2025-04-20
3-Bromoquinoline-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromoquinoline-4-carbonitrile
- 3-bromo-4-Quinolinecarbonitrile
- AG-L-58282
- CTK7C6226
- I08-0457
- KB-235400
- MolPort-016-578-721
- QC-8083
- SCHEMBL21436680
- A1-56275
- 1253790-93-0
- DB-062372
- DTXSID00677796
- AKOS015835000
-
- MDL： MFCD17011828
- Inchi： 1S/C10H5BrN2/c11-9-6-13-10-4-2-1-3-7(10)8(9)5-12/h1-4,6H
- InChI Key： KPIBKSRNPFDUOD-UHFFFAOYSA-N
- SMILES： BrC1=CN=C2C=CC=CC2=C1C#N
Computed Properties
- Exact Mass: 231.96361g/mol
- Monoisotopic Mass: 231.96361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 232
- 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: 2.6
- Topological Polar Surface Area: 36.7?2
3-Bromoquinoline-4-carbonitrile Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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