Home Halogens 3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2h,5h)-dione

3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2h,5h)-dione

CAS No.:
1000623-95-9
Catalog Number:
AG00393W
Molecular Formula:
C30H38Br2N2O2S2
Molecular Weight:
682.5729
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$100
- +
250mg
97%
In Stock USA
United States
$175
- +
1g
97%
In Stock USA
United States
$438
- +
5g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00393W
Chemical Name:
3,6-Bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2h,5h)-dione
CAS Number:
1000623-95-9
Molecular Formula:
C30H38Br2N2O2S2
Molecular Weight:
682.5729
MDL Number:
MFCD16619382
IUPAC Name:
1,4-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione
InChI:
InChI=1S/C30H38Br2N2O2S2/c1-5-9-11-19(7-3)17-33-27(21-13-15-23(31)37-21)25-26(29(33)35)28(22-14-16-24(32)38-22)34(30(25)36)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI Key:
JVVGLKKTAZYUQU-UHFFFAOYSA-N
SMILES:
CCCCC(Cn1c(=O)c2c(c1c1ccc(s1)Br)c(=O)n(c2c1ccc(s1)Br)CC(CCCC)CC)CC
Properties
Complexity:
865  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.072g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
682.574g/mol
Monoisotopic Mass:
680.074g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9  
Properties