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Home > Fluorides > 1706428-65-0
1706428-65-0 | 2-Methyl-4-(trifluoromethoxy)-DL-phenylalanine
CAS No: 1706428-65-0 Catalog No: AG01FA5K MDL No:
Product Description
Catalog Number:
AG01FA5K
Chemical Name:
2-Methyl-4-(trifluoromethoxy)-DL-phenylalanine
CAS Number:
1706428-65-0
Molecular Formula:
C11H12F3NO3
Molecular Weight:
263.2131
IUPAC Name:
2-amino-3-[2-methyl-4-(trifluoromethoxy)phenyl]propanoic acid
InChI:
InChI=1S/C11H12F3NO3/c1-6-4-8(18-11(12,13)14)3-2-7(6)5-9(15)10(16)17/h2-4,9H,5,15H2,1H3,(H,16,17)
InChI Key:
POJFIIFTOPDUEM-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1C)OC(F)(F)F)N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.216g/mol
Monoisotopic Mass:
263.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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