Cas no 1913261-94-5 ()
structure
Product Name:
CAS No:1913261-94-5
MF:C7H3BrClN3O2
MW:276.474619150162
CID:6771108
PubChem ID:92132887
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C7H3BrClN3O2/c8-2-1-10-5-4(3(2)9)11-6(13)7(14)12-5/h1H,(H,11,13)(H,10,12,14)
- InChI Key： QFPDULQPHLBNMM-UHFFFAOYSA-N
- SMILES： BrC1C=NC2=C(C=1Cl)NC(C(N2)=O)=O
Computed Properties
- Exact Mass: 274.90972g/mol
- Monoisotopic Mass: 274.90972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 288
- 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
- Topological Polar Surface Area: 71.1?2
Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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