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Home > Fluorides > 825628-63-5
825628-63-5 | Benzamide, N-[(1R)-3-hydroxy-1-(trifluoromethyl)propyl]-
CAS No: 825628-63-5 Catalog No: AG005DQM MDL No:
Product Description
Catalog Number:
AG005DQM
Chemical Name:
Benzamide, N-[(1R)-3-hydroxy-1-(trifluoromethyl)propyl]-
CAS Number:
825628-63-5
Molecular Formula:
C11H12F3NO2
Molecular Weight:
247.2137
IUPAC Name:
N-[(2R)-1,1,1-trifluoro-4-hydroxybutan-2-yl]benzamide
InChI:
InChI=1S/C11H12F3NO2/c12-11(13,14)9(6-7-16)15-10(17)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,15,17)/t9-/m1/s1
InChI Key:
FOVYOZRCJNUKLQ-SECBINFHSA-N
SMILES:
OCC[C@H](C(F)(F)F)NC(=O)c1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.217g/mol
Monoisotopic Mass:
247.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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