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123053-22-5 | L-Phenylalanine, 3-chloro-, hydrochloride (9CI)
CAS No: 123053-22-5 Catalog No: AG000K0K MDL No:MFCD08600004
Product Description
Catalog Number:
AG000K0K
Chemical Name:
L-Phenylalanine, 3-chloro-, hydrochloride (9CI)
CAS Number:
123053-22-5
Molecular Formula:
C9H11Cl2NO2
Molecular Weight:
236.0951
MDL Number:
MFCD08600004
IUPAC Name:
(2S)-2-amino-3-(3-chlorophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H10ClNO2.ClH/c10-7-3-1-2-6(4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
InChI Key:
MLKORXUFSMVSBB-QRPNPIFTSA-N
SMILES:
OC(=O)[C@H](Cc1cccc(c1)Cl)N.Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
235.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.092g/mol
Monoisotopic Mass:
235.017g/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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