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1153905-13-5 | 1H-Pyrrole-2-carboxylic acid, 1-methyl-5-[4-(trifluoromethyl)phenyl]-
CAS No: 1153905-13-5 Catalog No: AG000FWR MDL No:MFCD12697165
Product Description
Catalog Number:
AG000FWR
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-methyl-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
1153905-13-5
Molecular Formula:
C13H10F3NO2
Molecular Weight:
269.2192
MDL Number:
MFCD12697165
IUPAC Name:
1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C13H10F3NO2/c1-17-10(6-7-11(17)12(18)19)8-2-4-9(5-3-8)13(14,15)16/h2-7H,1H3,(H,18,19)
InChI Key:
YOHLWFVGQKUFDL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(n1C)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.223g/mol
Monoisotopic Mass:
269.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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