Home Carboxys 4-[(trifluoromethyl)sulfanyl]-1H-pyrrole-2-carboxylic acid

4-[(trifluoromethyl)sulfanyl]-1H-pyrrole-2-carboxylic acid

CAS No.:
62665-40-1
Catalog Number:
AG01EK7J
Molecular Formula:
C6H4F3NO2S
Molecular Weight:
211.1617
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Product Description
Catalog Number:
AG01EK7J
Chemical Name:
4-[(trifluoromethyl)sulfanyl]-1H-pyrrole-2-carboxylic acid
CAS Number:
62665-40-1
Molecular Formula:
C6H4F3NO2S
Molecular Weight:
211.1617
MDL Number:
MFCD24480666
IUPAC Name:
4-(trifluoromethylsulfanyl)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H4F3NO2S/c7-6(8,9)13-3-1-4(5(11)12)10-2-3/h1-2,10H,(H,11,12)
InChI Key:
TWBJHEFZQIUEEK-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(c1)SC(F)(F)F
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.991g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.158g/mol
Monoisotopic Mass:
210.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties