Home Carboxys Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

CAS No.:
120732-04-9
Catalog Number:
AG0080U9
Molecular Formula:
C8H8F3NO2
Molecular Weight:
207.1498
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$91
- +
250mg
95%
In Stock USA
United States
$177
- +
1g
95%
In Stock USA
United States
$353
- +
5g
95%
In Stock USA
United States
$1059
- +
Product Description
Catalog Number:
AG0080U9
Chemical Name:
Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
CAS Number:
120732-04-9
Molecular Formula:
C8H8F3NO2
Molecular Weight:
207.1498
MDL Number:
MFCD09838835
IUPAC Name:
ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C8H8F3NO2/c1-2-14-7(13)5-3-12-4-6(5)8(9,10)11/h3-4,12H,2H2,1H3
InChI Key:
OPRFQUCZHDBZHE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]cc1C(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.152g/mol
Monoisotopic Mass:
207.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties