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887583-98-4 | Benzenepropanoic acid, b-amino-2-fluoro-5-(trifluoromethoxy)-
CAS No: 887583-98-4 Catalog No: AG004DV7 MDL No:
Product Description
Catalog Number:
AG004DV7
Chemical Name:
Benzenepropanoic acid, b-amino-2-fluoro-5-(trifluoromethoxy)-
CAS Number:
887583-98-4
Molecular Formula:
C10H9F4NO3
Molecular Weight:
267.1770
IUPAC Name:
3-amino-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propanoic acid
InChI:
InChI=1S/C10H9F4NO3/c11-7-2-1-5(18-10(12,13)14)3-6(7)8(15)4-9(16)17/h1-3,8H,4,15H2,(H,16,17)
InChI Key:
PMNWZZQYOKVXFT-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cc(ccc1F)OC(F)(F)F)N
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.18g/mol
Monoisotopic Mass:
267.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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