Home Aminos 2-amino-3-(3-cyano-5-fluoro-4-hydroxyphenyl)propanoic acid

2-amino-3-(3-cyano-5-fluoro-4-hydroxyphenyl)propanoic acid

CAS No.:
1888653-28-8
Catalog Number:
AG01ELKR
Molecular Formula:
C10H9FN2O3
Molecular Weight:
224.1885
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Product Description
Catalog Number:
AG01ELKR
Chemical Name:
2-amino-3-(3-cyano-5-fluoro-4-hydroxyphenyl)propanoic acid
CAS Number:
1888653-28-8
Molecular Formula:
C10H9FN2O3
Molecular Weight:
224.1885
MDL Number:
MFCD31665133
IUPAC Name:
2-amino-3-(3-cyano-5-fluoro-4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C10H9FN2O3/c11-7-2-5(3-8(13)10(15)16)1-6(4-12)9(7)14/h1-2,8,14H,3,13H2,(H,15,16)
InChI Key:
JXBCBHYXMQGRGO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(CC(C(=O)O)N)cc(c1O)F
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
224.191g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties