Home Aminos 2-{[(3-fluorophenyl)methyl]amino}propanoic acid hydrochloride

2-{[(3-fluorophenyl)methyl]amino}propanoic acid hydrochloride

CAS No.:
1396962-19-8
Catalog Number:
AG019UNO
Molecular Formula:
C10H13ClFNO2
Molecular Weight:
233.6671
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Product Description
Catalog Number:
AG019UNO
Chemical Name:
2-{[(3-fluorophenyl)methyl]amino}propanoic acid hydrochloride
CAS Number:
1396962-19-8
Molecular Formula:
C10H13ClFNO2
Molecular Weight:
233.6671
MDL Number:
MFCD11798835
IUPAC Name:
2-[(3-fluorophenyl)methylamino]propanoic acid;hydrochloride
InChI:
InChI=1S/C10H12FNO2.ClH/c1-7(10(13)14)12-6-8-3-2-4-9(11)5-8;/h2-5,7,12H,6H2,1H3,(H,13,14);1H
InChI Key:
HMKHNQRLIWCIHH-UHFFFAOYSA-N
SMILES:
OC(=O)C(NCc1cccc(c1)F)C.Cl
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.667g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties