Cas no 206268-72-6 (1,2-Benzenedicarbonitrile, 4-bromo-5-nitro-)
206268-72-6 structure
Product Name:1,2-Benzenedicarbonitrile, 4-bromo-5-nitro-
CAS No:206268-72-6
MF:C8H2BrN3O2
MW:252.024380207062
CID:1395351
PubChem ID:690963
Update Time:2025-04-20
1,2-Benzenedicarbonitrile, 4-bromo-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarbonitrile, 4-bromo-5-nitro-
- 4-bromo-5-nitro-1,2-Benzenedicarbonitrile
- 4-bromo-5-nitrobenzene-1,2-dicarbonitrile
- 4-BROMO-5-NITRO-PHTHALONITRILE
- SCHEMBL12443132
- DA-39845
- 4-Bromo-5-nitrophthalonitrile
- AKOS000737913
- [(2-BROMO-4,5-DICYANOPHENYL)(OXO)AMMONIO]OXONIUM
- PZOBMISAMQBXIY-UHFFFAOYSA-N
- 206268-72-6
- DTXSID10351111
- STK728258
-
- MDL： MFCD01435519
- Inchi： 1S/C8H2BrN3O2/c9-7-1-5(3-10)6(4-11)2-8(7)12(13)14/h1-2H
- InChI Key： PZOBMISAMQBXIY-UHFFFAOYSA-N
- SMILES： BrC1=CC(C#N)=C(C#N)C=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 250.93306
- Monoisotopic Mass: 250.93304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 334
- 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: 1.9
- Topological Polar Surface Area: 93.4?2
Experimental Properties
- PSA: 90.72
1,2-Benzenedicarbonitrile, 4-bromo-5-nitro- Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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