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2-BroMo-4-chloro-5-fluoronitrobenzene structure

2-BroMo-4-chloro-5-fluoronitrobenzene

 
1. Names and Identifiers
1.1 Name
2-BroMo-4-chloro-5-fluoronitrobenzene
1.2 Synonyms
1-BroMo-5-chloro-4-fluoro-2-nitrobenzene; Benzene, 1-bromo-5-chloro-4-fluoro-2-nitro-;
1.3 CAS No.
960000-99-1
1.4 CID
50998078
1.5 Molecular Formula
C6H2BrClFNO2
1.6 Inchi
InChI=1S/C6H2BrClFNO2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H
1.7 InChkey
KPAVKOUZDIGLJY-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C(=CC(=C1F)Cl)Br)[N+](=O)[O-]
1.9 Isomers Smiles
C1=C(C(=CC(=C1F)Cl)Br)[N+](=O)[O-]
2. Synthesis Route
960000-99-1Total: 2 Synthesis Route
 
60811-21-4
60811-21-4 72 Suppliers
 
960000-99-1
960000-99-1 3 Suppliers
 
104222-34-6
104222-34-6 39 Suppliers
 
960000-99-1
960000-99-1 3 Suppliers
3. Precursor and Product
precursor:
4. Computed Properties
  • Molecular Weight:254.439g/mol
  • Molecular Formula:C6H2BrClFNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:252.89415
  • Monoisotopic Mass:252.89415
  • Complexity:189
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:45.8
  • Heavy Atom Count::12
  • 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:AAADcQBiMQAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQJEAAABqAqBECgwwIAQQACBACRCQwCCAAAgBwQgiAAAZqoIICKBkpGAIABggAAIyhcQAAAAAABAAABAAAgAAIAAAIAAEAAAAAAAAA==
5. Toltal 3 Suppliers View more
Tel: Update Time:2019/07/29
Tel: Update Time:2019/02/25
Tel: Update Time:2017/04/06
6. Realated Product Infomation
 
 
 
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