Home Bromides 1000577-94-5
1000577-94-5,MFCD09800817
Catalog No.:AA0000OS
1000577-94-5 | Benzonitrile, 3-bromo-4-iodo-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$30.00
- +
5g
97%
in stock  
$90.00
- +
10g
97%
in stock  
$167.00
- +
25g
97%
in stock  
$334.00
- +
100g
97%
in stock  
$1,056.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000OS
Chemical Name:
Benzonitrile, 3-bromo-4-iodo-
CAS Number:
1000577-94-5
Molecular Formula:
C7H3BrIN
Molecular Weight:
307.9139
MDL Number:
MFCD09800817
IUPAC Name:
3-bromo-4-iodobenzonitrile
InChI:
InChI=1S/C7H3BrIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
InChI Key:
COMRZEYMBSUAGN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)I
Properties
Computed Properties
 
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.849g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.916g/mol
Monoisotopic Mass:
306.849g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-Bromo-4-iodobenzonitrile 
1000577-94-5 
FCH1393441 
AS-10653 
BBV-40269548 
CJ-15148 
OR400773 
FT-0723414 
K-0141 
J-000024 
C7H3BrIN 
AK343595 
SCHEMBL171636 
Benzonitrile, 3-bromo-4-iodo- 
DTXSID00650226 
9206AF 
MFCD09800817 
ZINC15443845 
AKOS027340218 
Literature
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