Cas no 1189107-21-8 (4,7-Dibromo-6-methylquinoline)
4,7-Dibromo-6-methylquinoline structure
Product Name:4,7-Dibromo-6-methylquinoline
CAS No:1189107-21-8
MF:C10H7Br2N
MW:300.977280855179
CID:2195303
PubChem ID:45599392
Update Time:2025-04-21
4,7-Dibromo-6-methylquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4,7-Dibromo-6-methylquinoline
- AKOS025394232
- MFCD12674997
- DTXSID90670938
- DB-061447
- 1189107-21-8
-
- Inchi： 1S/C10H7Br2N/c1-6-4-7-8(11)2-3-13-10(7)5-9(6)12/h2-5H,1H3
- InChI Key： AOVWPMZACAEXQQ-UHFFFAOYSA-N
- SMILES： BrC1=CC2C(=C(C=CN=2)Br)C=C1C
Computed Properties
- Exact Mass: 300.89247Da
- Monoisotopic Mass: 298.89452Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 186
- 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: 3.9
- Topological Polar Surface Area: 12.9?2
4,7-Dibromo-6-methylquinoline Related Literature
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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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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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