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15065-41-5 | L-Phenylalanine, 3-chloro-4-fluoro-, hydrochloride (9CI)
CAS No: 15065-41-5 Catalog No: AG001MSH MDL No:
Product Description
Catalog Number:
AG001MSH
Chemical Name:
L-Phenylalanine, 3-chloro-4-fluoro-, hydrochloride (9CI)
CAS Number:
15065-41-5
Molecular Formula:
C9H10Cl2FNO2
Molecular Weight:
254.0856
IUPAC Name:
(2S)-2-amino-3-(3-chloro-4-fluorophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H9ClFNO2.ClH/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1
InChI Key:
DUZJLGOZHYAJQE-QRPNPIFTSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(c(c1)Cl)F)N.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.082g/mol
Monoisotopic Mass:
253.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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