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1217896-22-4 | Benzeneacetic acid, α-methyl-4-[[4-(trifluoromethyl)-2-oxazolyl]amino]-, (αS)-
CAS No: 1217896-22-4 Catalog No: AG00160Z MDL No:
Product Description
Catalog Number:
AG00160Z
Chemical Name:
Benzeneacetic acid, α-methyl-4-[[4-(trifluoromethyl)-2-oxazolyl]amino]-, (αS)-
CAS Number:
1217896-22-4
Molecular Formula:
C13H11F3N2O3
Molecular Weight:
300.2332
IUPAC Name:
2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoic acid
InChI:
InChI=1S/C13H11F3N2O3/c1-7(11(19)20)8-2-4-9(5-3-8)17-12-18-10(6-21-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20)
InChI Key:
LPPNMWHZIUTUIZ-UHFFFAOYSA-N
SMILES:
C[C@@H](c1ccc(cc1)Nc1occ(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.237g/mol
Monoisotopic Mass:
300.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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