Home Carboxys 1-Methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylicAcid

1-Methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylicAcid

CAS No.:
1864060-29-6
Catalog Number:
AG00I1SE
Molecular Formula:
C13H10F3NO3
Molecular Weight:
285.2186
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Product Description
Catalog Number:
AG00I1SE
Chemical Name:
1-Methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylicAcid
CAS Number:
1864060-29-6
Molecular Formula:
C13H10F3NO3
Molecular Weight:
285.2186
MDL Number:
MFCD28252201
IUPAC Name:
1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C13H10F3NO3/c1-17-10(6-7-11(17)12(18)19)8-2-4-9(5-3-8)20-13(14,15)16/h2-7H,1H3,(H,18,19)
InChI Key:
FCPPVYPGZWXHHH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(n1C)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.061g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.222g/mol
Monoisotopic Mass:
285.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties