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1217770-09-6 | Benzenepropanoic acid, β-amino-2-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217770-09-6 Catalog No: AG0015YF MDL No:MFCD07363517
Product Description
Catalog Number:
AG0015YF
Chemical Name:
Benzenepropanoic acid, β-amino-2-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217770-09-6
Molecular Formula:
C9H10FNO3
Molecular Weight:
199.1790
MDL Number:
MFCD07363517
IUPAC Name:
(2R,3R)-3-amino-3-(2-fluorophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C9H10FNO3/c10-6-4-2-1-3-5(6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)/t7-,8-/m1/s1
InChI Key:
UVPUCKXUPWNMOE-HTQZYQBOSA-N
SMILES:
OC(=O)[C@@H]([C@@H](c1ccccc1F)N)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
199.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.181g/mol
Monoisotopic Mass:
199.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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