Cas no 350047-17-5 (3-Pyridinesulfonyl chloride, 6-amino-5-bromo-)
350047-17-5 structure
Product Name:3-Pyridinesulfonyl chloride, 6-amino-5-bromo-
CAS No:350047-17-5
MF:C5H4BrClN2O2S
MW:271.519457817078
CID:1467188
PubChem ID:85788590
Update Time:2025-04-20
3-Pyridinesulfonyl chloride, 6-amino-5-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinesulfonyl chloride, 6-amino-5-bromo-
- 350047-17-5
- DB-428409
- 6-Amino-5-bromopyridine-3-sulfonyl chloride
- 6-Amino-5-bromo-3-pyridinesulfonyl chloride
-
- Inchi： 1S/C5H4BrClN2O2S/c6-4-1-3(12(7,10)11)2-9-5(4)8/h1-2H,(H2,8,9)
- InChI Key： WQTKHMZHQMFZDN-UHFFFAOYSA-N
- SMILES： BrC1=C(N)N=CC(=C1)S(=O)(=O)Cl
Computed Properties
- Exact Mass: 269.88662
- Monoisotopic Mass: 269.88654g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 253
- 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: 1.2
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 73.05
3-Pyridinesulfonyl chloride, 6-amino-5-bromo- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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