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130530-01-7 | 1H-Pyrrole-3-carboxylic acid, 1-methyl-4-(trifluoromethyl)-
CAS No: 130530-01-7 Catalog No: AG000ULG MDL No:MFCD12025862
Product Description
Catalog Number:
AG000ULG
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1-methyl-4-(trifluoromethyl)-
CAS Number:
130530-01-7
Molecular Formula:
C7H6F3NO2
Molecular Weight:
193.1232
MDL Number:
MFCD12025862
IUPAC Name:
1-methyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid
InChI:
InChI=1S/C7H6F3NO2/c1-11-2-4(6(12)13)5(3-11)7(8,9)10/h2-3H,1H3,(H,12,13)
InChI Key:
SWIGLLMSRXLGCV-UHFFFAOYSA-N
SMILES:
Cn1cc(c(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.125g/mol
Monoisotopic Mass:
193.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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