Cas no 90731-97-8 (PYRIDINE, 3-BROMO-4-CYCLOHEXYL-)
90731-97-8 structure
Product Name:PYRIDINE, 3-BROMO-4-CYCLOHEXYL-
CAS No:90731-97-8
MF:C11H14BrN
MW:240.139562129974
CID:3519733
PubChem ID:13160535
Update Time:2025-04-21
PYRIDINE, 3-BROMO-4-CYCLOHEXYL- Chemical and Physical Properties
Names and Identifiers
-
- PYRIDINE, 3-BROMO-4-CYCLOHEXYL-
- 3-Bromo-4-(cyclohexyl)pyridine
- SCHEMBL7259298
- 3-bromo-4-cyclohexylpyridine
- 90731-97-8
- DB-394673
-
- Inchi： 1S/C11H14BrN/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9/h6-9H,1-5H2
- InChI Key： UPWOPNMGGDUKFW-UHFFFAOYSA-N
- SMILES： C1=NC=CC(C2CCCCC2)=C1Br
Computed Properties
- Exact Mass: 239.03096Da
- Monoisotopic Mass: 239.03096Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 154
- 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: 4.1
- Topological Polar Surface Area: 12.9?2
PYRIDINE, 3-BROMO-4-CYCLOHEXYL- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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