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1465-42-5 | Alanine, N-benzoyl-3,3,3-trifluoro-
CAS No: 1465-42-5 Catalog No: AG001E32 MDL No:
Product Description
Catalog Number:
AG001E32
Chemical Name:
Alanine, N-benzoyl-3,3,3-trifluoro-
CAS Number:
1465-42-5
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
IUPAC Name:
(2R)-2-benzamido-3,3,3-trifluoropropanoic acid
InChI:
InChI=1S/C10H8F3NO3/c11-10(12,13)7(9(16)17)14-8(15)6-4-2-1-3-5-6/h1-5,7H,(H,14,15)(H,16,17)/t7-/m1/s1
InChI Key:
SZQMLDYJAPSSDX-SSDOTTSWSA-N
SMILES:
O=C(c1ccccc1)N[C@@H](C(F)(F)F)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.173g/mol
Monoisotopic Mass:
247.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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