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Home > Fluorides > 865471-20-1
865471-20-1 | Benzoic acid,2-(4-morpholinyl)-5-(trifluoromethyl)-
CAS No: 865471-20-1 Catalog No: AG004LVE MDL No:MFCD09025883
Product Description
Catalog Number:
AG004LVE
Chemical Name:
Benzoic acid,2-(4-morpholinyl)-5-(trifluoromethyl)-
CAS Number:
865471-20-1
Molecular Formula:
C12H12F3NO3
Molecular Weight:
275.2238
MDL Number:
MFCD09025883
IUPAC Name:
2-morpholin-4-yl-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C12H12F3NO3/c13-12(14,15)8-1-2-10(9(7-8)11(17)18)16-3-5-19-6-4-16/h1-2,7H,3-6H2,(H,17,18)
InChI Key:
PRECFTDWCNEEDB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N1CCOCC1)C(F)(F)F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.227g/mol
Monoisotopic Mass:
275.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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