Cas no 18813-71-3 ( )
structure
Product Name:
CAS No:18813-71-3
MF:C12H9BrN2
MW:261.117261648178
CID:907489
PubChem ID:5380465
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6-bromo-1-methyl-9H-pyrido[3,4-b]indole
- 6-Bromoharman
- 6-bromoharmane
- CTK0A4075
- HMS2270H23
- NSC97850
- SureCN2720910
- CHEMBL1698399
- 6-Bromo-1-methyl-9H-I(2)-carboline
- DTXSID00418909
- 6-bromo-1-methyl-9h-b-carboline
- SMR001215941
- 18813-71-3
- NSC-97850
- 6-Bromo-1-methyl-9H-pyrido(3,4-b)indole
- MGPZBLVKGVLQIV-UHFFFAOYSA-N
- MLS000574962
- NSC 97850
- SCHEMBL2720910
- DB-369032
-
-
- Inchi： 1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
- InChI Key： MGPZBLVKGVLQIV-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C1C=CN=C(C)C=1N2
Computed Properties
- Exact Mass: 259.99497
- Monoisotopic Mass: 259.99491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 246
- 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: 4.3
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
- LogP: 3.78700
Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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