Cas no 32449-27-7 (Nsc138355)
Nsc138355 structure
Product Name:Nsc138355
CAS No:32449-27-7
MF:C14H16BrN2
MW:292.194242477417
CID:916939
PubChem ID:54610239
Update Time:2025-04-19
Nsc138355 Chemical and Physical Properties
Names and Identifiers
-
- Nsc138355
- NSC-138355
- 32449-27-7
- DTXSID90715131
- 7,12-diazoniatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene;bromide
-
- Inchi： 1S/C14H16N2.BrH/c1-3-9-15-11-5-6-12-16-10-4-2-8-14(16)13(15)7-1;/h1-4,7-10H,5-6,11-12H2;1H/q+2;/p-1
- InChI Key： ARZWNDHTHBBJIN-UHFFFAOYSA-M
- SMILES： [Br-].[N+]12C=CC=CC=1C1C=CC=C[N+]=1CCCC2
Computed Properties
- Exact Mass: 218.17846
- Monoisotopic Mass: 291.04969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 205
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 7.8?2
Experimental Properties
- PSA: 6.48
- LogP: -1.27360
Nsc138355 Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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