Cas no 160892-06-8 (5-bromobenzene-1,3-dicarboxamide)
160892-06-8 structure
Product Name:5-bromobenzene-1,3-dicarboxamide
CAS No:160892-06-8
MF:C8H7BrN2O2
MW:243.057380914688
CID:1340767
PubChem ID:21782727
Update Time:2025-04-20
5-bromobenzene-1,3-dicarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 5-bromobenzene-1,3-dicarboxamide
- 5-bromo-1,3-benzenedicarboxamide
- SY297839
- SCHEMBL1824174
- 5-bromoisophthalamide
- DB-397992
- 160892-06-8
-
- Inchi： 1S/C8H7BrN2O2/c9-6-2-4(7(10)12)1-5(3-6)8(11)13/h1-3H,(H2,10,12)(H2,11,13)
- InChI Key： DJXPGIBWWMREIX-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(N)=O)C=C(C(N)=O)C=1
Computed Properties
- Exact Mass: 241.96900
- Monoisotopic Mass: 241.96909g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 0.4
- Topological Polar Surface Area: 86.2?2
Experimental Properties
- PSA: 86.18000
- LogP: 2.04750
5-bromobenzene-1,3-dicarboxamide Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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