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261952-24-3 | Benzeneacetic acid, α-amino-4-(trifluoromethoxy)-
CAS No: 261952-24-3 Catalog No: AG002S6Y MDL No:MFCD01631461
Product Description
Catalog Number:
AG002S6Y
Chemical Name:
Benzeneacetic acid, α-amino-4-(trifluoromethoxy)-
CAS Number:
261952-24-3
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD01631461
IUPAC Name:
2-amino-2-[4-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H8F3NO3/c10-9(11,12)16-6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)
InChI Key:
KBWQXEWTAXZMRX-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)OC(F)(F)F)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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