Home Aminos 3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid

3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid

CAS No.:
773126-10-6
Catalog Number:
AG00ICTE
Molecular Formula:
C9H9FN2O4
Molecular Weight:
228.1772
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Product Description
Catalog Number:
AG00ICTE
Chemical Name:
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
CAS Number:
773126-10-6
Molecular Formula:
C9H9FN2O4
Molecular Weight:
228.1772
MDL Number:
MFCD06206382
IUPAC Name:
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H9FN2O4/c10-6-2-1-5(3-8(6)12(15)16)7(11)4-9(13)14/h1-3,7H,4,11H2,(H,13,14)
InChI Key:
FQQBZLDKAWFNNG-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)[N+](=O)[O-])F)N
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.179g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Properties