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117391-49-8 | Benzenepropanoic acid, β-amino-2-fluoro-
CAS No: 117391-49-8 Catalog No: AG000E7X MDL No:MFCD00193241
Product Description
Catalog Number:
AG000E7X
Chemical Name:
Benzenepropanoic acid, β-amino-2-fluoro-
CAS Number:
117391-49-8
Molecular Formula:
C9H10FNO2
Molecular Weight:
183.1796
MDL Number:
MFCD00193241
IUPAC Name:
3-amino-3-(2-fluorophenyl)propanoic acid
InChI:
InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key:
RSCLTSJQAQBNCE-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1F)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.182g/mol
Monoisotopic Mass:
183.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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