Home Bromides 1005771-04-9
1005771-04-9,MFCD22581440
Catalog No.:AA0002AY
1005771-04-9 | 1,3-Dibromo-7-tert-butylpyrene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>97.0%(GC)
1 week  
$128.00   $89.00
- +
5g
>97.0%(GC)
1 week  
$418.00   $292.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002AY
Chemical Name:
1,3-Dibromo-7-tert-butylpyrene
CAS Number:
1005771-04-9
Molecular Formula:
C20H16Br2
Molecular Weight:
416.1490
MDL Number:
MFCD22581440
IUPAC Name:
1,3-dibromo-7-tert-butylpyrene
InChI:
InChI=1S/C20H16Br2/c1-20(2,3)13-8-11-4-6-14-16(21)10-17(22)15-7-5-12(9-13)18(11)19(14)15/h4-10H,1-3H3
InChI Key:
BARYQDOQFLJABV-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c3c1ccc1c3c(cc2)cc(c1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.96g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.156g/mol
Monoisotopic Mass:
413.962g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  

Synonyms
 
1,3-Dibromo-7-tert-butylpyrene 
1005771-04-9 
ZINC90548701 
AKOS025293941 
OR52284 
DA-16449 
TC-172230 
D4187 
FT-0712228 
ACMC-20ap4f 
SCHEMBL243599 
1,3-dibromo-7-t-butylpyrene 
1,3-di-bromo-7-t-butylpyrene 
CTK8C6216 
DTXSID70728461 
BARYQDOQFLJABV-UHFFFAOYSA-N 
MFCD22581440 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A