Home Carboxys 5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid

5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid

CAS No.:
1784884-56-5
Catalog Number:
AG01BDF3
Molecular Formula:
C6H4F3NO2
Molecular Weight:
179.0967
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Product Description
Catalog Number:
AG01BDF3
Chemical Name:
5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
CAS Number:
1784884-56-5
Molecular Formula:
C6H4F3NO2
Molecular Weight:
179.0967
MDL Number:
MFCD28520364
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C6H4F3NO2/c7-6(8,9)4-1-3(2-10-4)5(11)12/h1-2,10H,(H,11,12)
InChI Key:
DBYKUYDFJNYQBH-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c(c1)C(F)(F)F
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.098g/mol
Monoisotopic Mass:
179.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties