Home Halogens 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

CAS No.:
122453-73-0
Catalog Number:
AG00179N
Molecular Formula:
C15H11BrClF3N2O
Molecular Weight:
407.6128
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$80
- +
250mg
95%
In Stock USA
United States
$132
- +
1g
95%
In Stock USA
United States
$294
- +
5g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00179N
Chemical Name:
4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CAS Number:
122453-73-0
Molecular Formula:
C15H11BrClF3N2O
Molecular Weight:
407.6128
MDL Number:
MFCD01631152
IUPAC Name:
4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
InChI:
InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3
InChI Key:
CWFOCCVIPCEQCK-UHFFFAOYSA-N
SMILES:
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N
EC Number:
602-782-4
UNII:
NWI20P05EB
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.97g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.615g/mol
Monoisotopic Mass:
405.97g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
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Properties