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Home Other Building Blocks Ido-in-1

Ido-in-1

CAS No.:
914638-30-5
Catalog Number:
AG003AH0
Molecular Formula:
C9H7BrFN5O2
Molecular Weight:
316.0866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$147
- +
1g
95%
1 week
United States
$232
- +
Product Description
Catalog Number:
AG003AH0
Chemical Name:
Ido-in-1
CAS Number:
914638-30-5
Molecular Formula:
C9H7BrFN5O2
Molecular Weight:
316.0866
MDL Number:
MFCD28399146
IUPAC Name:
4-amino-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
InChI:
InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
InChI Key:
ORHZJUSHZUCMKR-UHFFFAOYSA-N
SMILES:
ON/C(=N\c1ccc(c(c1)Br)F)/c1nonc1N
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.977g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
316.09g/mol
Monoisotopic Mass:
314.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties