Home Aminos 2-{[(4-fluorophenyl)methyl]amino}propanoic acid

2-{[(4-fluorophenyl)methyl]amino}propanoic acid

CAS No.:
1396962-52-9
Catalog Number:
AG019UZ7
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
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Product Description
Catalog Number:
AG019UZ7
Chemical Name:
2-{[(4-fluorophenyl)methyl]amino}propanoic acid
CAS Number:
1396962-52-9
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD09836863
IUPAC Name:
2-[(4-fluorophenyl)methylamino]propanoic acid
InChI:
InChI=1S/C10H12FNO2/c1-7(10(13)14)12-6-8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChI Key:
LEHHULZCRCOQED-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NCc1ccc(cc1)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.209g/mol
Monoisotopic Mass:
197.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties