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138751-04-9 | Benzeneacetic acid, α-amino-2-fluoro-, (αS)-
CAS No: 138751-04-9 Catalog No: AG0019GR MDL No:
Product Description
Catalog Number:
AG0019GR
Chemical Name:
Benzeneacetic acid, α-amino-2-fluoro-, (αS)-
CAS Number:
138751-04-9
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
IUPAC Name:
(2S)-2-amino-2-(2-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1
InChI Key:
CGNMJIBUVDGMIY-ZETCQYMHSA-N
SMILES:
OC(=O)[C@H](c1ccccc1F)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
169.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.155g/mol
Monoisotopic Mass:
169.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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