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1217607-63-0 | L-Phenylalanine, 2,6-difluoro-, hydrochloride (1:1)
CAS No: 1217607-63-0 Catalog No: AG0015TF MDL No:
Product Description
Catalog Number:
AG0015TF
Chemical Name:
L-Phenylalanine, 2,6-difluoro-, hydrochloride (1:1)
CAS Number:
1217607-63-0
Molecular Formula:
C9H10ClF2NO2
Molecular Weight:
237.6310
IUPAC Name:
(2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H9F2NO2.ClH/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1
InChI Key:
QJXREVDYHTWMNF-QRPNPIFTSA-N
SMILES:
N[C@H](C(=O)O)Cc1c(F)cccc1F.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:
237.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.631g/mol
Monoisotopic Mass:
237.037g/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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