sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Isopropyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid

1-Isopropyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid

CAS No.:
1341766-01-5
Catalog Number:
AG00HT8X
Molecular Formula:
C9H10F3NO2
Molecular Weight:
221.1764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$177
- +
250mg
95%
In Stock USA
United States
$331
- +
Product Description
Catalog Number:
AG00HT8X
Chemical Name:
1-Isopropyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid
CAS Number:
1341766-01-5
Molecular Formula:
C9H10F3NO2
Molecular Weight:
221.1764
MDL Number:
MFCD19611410
IUPAC Name:
1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H10F3NO2/c1-5(2)13-3-6(8(14)15)7(4-13)9(10,11)12/h3-5H,1-2H3,(H,14,15)
InChI Key:
VTCMJDWNRUCRSW-UHFFFAOYSA-N
SMILES:
CC(n1cc(c(c1)C(F)(F)F)C(=O)O)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.179g/mol
Monoisotopic Mass:
221.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties