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1-bromo-8-chloro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
1. Names and Identifiers
- 1.1 Name
- 1-bromo-8-chloro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
- 1.2 CAS No.
- 1226805-71-5
- 1.3 CID
- 59321317
- 1.4 Molecular Formula
- C10H6BrClN4
- 1.5 Inchi
- InChI=1S/C10H6BrClN4/c1-5-9-15-14-7-3-2-6(12)4-8(7)16(9)10(11)13-5/h2-4H,1H3
- 1.6 InChkey
- JPBLLBYJRCMTDR-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- CC1=C2N=NC3=C(N2C(=N1)Br)C=C(C=C3)Cl
- 1.8 Isomers Smiles
- CC1=C2N=NC3=C(N2C(=N1)Br)C=C(C=C3)Cl
2. Computed Properties
- Molecular Weight：297.54g/mol
- Molecular Formula：C10H6BrClN4
- Compound Is Canonicalized：True
- Exact Mass：3.6
- XLogP3-AA：295.94644
- Monoisotopic Mass：295.94644
- Complexity：280
- Rotatable Bond Count：0
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：3
- Topological Polar Surface Area：43.1
- Heavy Atom Count：：16
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADcYBzgAAEEAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFix8AAAHAJIAAAAGAqBFyAz8L8MGACiASZiZACShC8hF6AdmCAwdpiIaOLBm5GUoAhoiALIyCcQAAAAAABAAAIAACAAAIAABAAAQAAAAAAAAA==
3. Realated Product Infomation
EN![1-bromo-8-chloro-3-methylimidazo[5,1-c][1,2,4]benzotriazine structure](https://structimg.guidechem.com/10/58/9058077.png)
