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Home > Fluorides > 526205-52-7
526205-52-7 | 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid
CAS No: 526205-52-7 Catalog No: AG01EWCV MDL No:
Product Description
Catalog Number:
AG01EWCV
Chemical Name:
3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid
CAS Number:
526205-52-7
Molecular Formula:
C11H9F3N2O2
Molecular Weight:
258.1966
IUPAC Name:
3-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
InChI:
InChI=1S/C11H9F3N2O2/c12-11(13,14)10-15-7-3-1-2-4-8(7)16(10)6-5-9(17)18/h1-4H,5-6H2,(H,17,18)
InChI Key:
AJIMSSWHMBCANF-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c2ccccc2nc1C(F)(F)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.2g/mol
Monoisotopic Mass:
258.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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