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Home> Hot Product Listed 2   > 2,3-Difluoro-1-iodo-4-methoxybenzene
297149-39-4 structure

2,3-Difluoro-1-iodo-4-methoxybenzene

Iupac Name:propyl 3-amino-1H-1,2,4-triazole-5-carboxylate
CAS No.:297149-39-4
Molecular Weight:170.172
Molecular Formula:C34H49F5O4S (isomer)
Properties
Density
2.129
Boiling Point
209.1 °C at 760 mmHg
Flash Point
231.063 °C at 760 mmHg
Safety and Handling
Specification

The 2,3-Difluoro-1-iodo-4-methoxybenzene, with CAS registry number 156499-64-8, has the systematic name of 2,3-difluoro-1-iodo-4-methoxy-benzene. And the chemical formula of this chemical is C7H5F2IO. Its molecular weight is 270.02.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(c(c1F)F)I
(2)InChI: InChI=1/C7H5F2IO/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3H,1H3
(3)InChIKey: DLUIPVAOKAGWHK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H5F2IO/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3H,1H3
(5)Std. InChIKey: DLUIPVAOKAGWHK-UHFFFAOYSA-N

Computational chemical data
  • Molecular Weight:170.172g/mol
  • Molecular Formula:C34H49F5O4S
  • Compound Is Canonicalized:True
  • Exact Mass:170.08
  • Monoisotopic Mass:170.08
  • Complexity:164
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • 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
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