Cas no 88817-30-5 (1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl-)
88817-30-5 structure
Product Name:1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl-
CAS No:88817-30-5
MF:C9H6BrN3
MW:236.068040370941
CID:621115
PubChem ID:23325782
Update Time:2025-04-19
1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl-
- 2-amino-5-bromo-4-methylbenzene-1,3-dicarbonitrile
- DTXSID00632946
- SCHEMBL10851986
- 88817-30-5
-
- Inchi： 1S/C9H6BrN3/c1-5-7(4-12)9(13)6(3-11)2-8(5)10/h2H,13H2,1H3
- InChI Key： QCWHSGKXZCDNFS-UHFFFAOYSA-N
- SMILES： BrC1=CC(C#N)=C(C(C#N)=C1C)N
Computed Properties
- Exact Mass: 234.97451g/mol
- Monoisotopic Mass: 234.97451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 284
- 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: 2.3
- Topological Polar Surface Area: 73.6?2
1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
88817-30-5 (1,3-Benzenedicarbonitrile, 2-amino-5-bromo-4-methyl-) Related Products
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