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149427-58-7 | 1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-
CAS No: 149427-58-7 Catalog No: AG001LOR MDL No:MFCD13190112
Product Description
Catalog Number:
AG001LOR
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-
CAS Number:
149427-58-7
Molecular Formula:
C6H4F3NO2
Molecular Weight:
179.0967
MDL Number:
MFCD13190112
IUPAC Name:
4-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C6H4F3NO2/c7-6(8,9)3-1-4(5(11)12)10-2-3/h1-2,10H,(H,11,12)
InChI Key:
FZLYSJNODQYBNZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]cc(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:
1.5
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