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200267-65-8 | Benzenepropanol, β-amino-4-fluoro-, (βS)-
CAS No: 200267-65-8 Catalog No: AG002CN5 MDL No:
Product Description
Catalog Number:
AG002CN5
Chemical Name:
Benzenepropanol, β-amino-4-fluoro-, (βS)-
CAS Number:
200267-65-8
Molecular Formula:
C9H12FNO
Molecular Weight:
169.1961
IUPAC Name:
(2S)-2-amino-3-(4-fluorophenyl)propan-1-ol
InChI:
InChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m0/s1
InChI Key:
NHOCAYQCFORHNF-VIFPVBQESA-N
SMILES:
OC[C@H](Cc1ccc(cc1)F)N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
169.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.199g/mol
Monoisotopic Mass:
169.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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