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1534-90-3 | 4-Fluoro-L-Phenylalanine Ethyl Ester Hydrochloride (1:1)
CAS No: 1534-90-3 Catalog No: AG0039BS MDL No:MFCD02259530
Product Description
Catalog Number:
AG0039BS
Chemical Name:
4-Fluoro-L-Phenylalanine Ethyl Ester Hydrochloride (1:1)
CAS Number:
1534-90-3
Molecular Formula:
C11H15ClFNO2
Molecular Weight:
247.6937
MDL Number:
MFCD02259530
IUPAC Name:
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate;hydrochloride
InChI:
InChI=1S/C11H14FNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-;/m0./s1
InChI Key:
KMTPBETYAVWMHD-PPHPATTJSA-N
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)F)N.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.694g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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