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1228561-39-4 | Benzenepropanoic acid, β-amino-2,3-difluoro-, (βS)-
CAS No: 1228561-39-4 Catalog No: AG000JMA MDL No:
Product Description
Catalog Number:
AG000JMA
Chemical Name:
Benzenepropanoic acid, β-amino-2,3-difluoro-, (βS)-
CAS Number:
1228561-39-4
Molecular Formula:
C9H9F2NO2
Molecular Weight:
201.1701
IUPAC Name:
(3S)-3-amino-3-(2,3-difluorophenyl)propanoic acid
InChI:
InChI=1S/C9H9F2NO2/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m0/s1
InChI Key:
PDSVPPFKLOHCFR-ZETCQYMHSA-N
SMILES:
N[C@H](c1cccc(c1F)F)CC(=O)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.173g/mol
Monoisotopic Mass:
201.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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