Cas no 50971-16-9 (Quinoline, 6-(bromomethyl)-2-phenyl-)
50971-16-9 structure
Product Name:Quinoline, 6-(bromomethyl)-2-phenyl-
CAS No:50971-16-9
MF:C16H12BrN
MW:298.177183151245
CID:363701
PubChem ID:21520554
Update Time:2025-04-19
Quinoline, 6-(bromomethyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 6-(bromomethyl)-2-phenyl-
- 6-(bromomethyl)-2-phenylquinoline
- 6-bromomethyl-2-phenyl-quinoline
- SQBMQTBPIKXHHN-UHFFFAOYSA-N
- SCHEMBL11814702
- 50971-16-9
- DTXSID80615510
- 2-phenyl-6-bromomethyl-quinoline
-
- Inchi： 1S/C16H12BrN/c17-11-12-6-8-16-14(10-12)7-9-15(18-16)13-4-2-1-3-5-13/h1-10H,11H2
- InChI Key： SQBMQTBPIKXHHN-UHFFFAOYSA-N
- SMILES： BrCC1C=CC2C(=CC=C(C3C=CC=CC=3)N=2)C=1
Computed Properties
- Exact Mass: 297.01536
- Monoisotopic Mass: 297.01531g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 4.5
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Quinoline, 6-(bromomethyl)-2-phenyl- 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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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