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128833-97-6 | Phenylalanine, 3,5-dichloro-, hydrochloride (9CI)
CAS No: 128833-97-6 Catalog No: AG000YF3 MDL No:MFCD15833344
Product Description
Catalog Number:
AG000YF3
Chemical Name:
Phenylalanine, 3,5-dichloro-, hydrochloride (9CI)
CAS Number:
128833-97-6
Molecular Formula:
C9H10Cl3NO2
Molecular Weight:
270.5402
MDL Number:
MFCD15833344
IUPAC Name:
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H9Cl2NO2.ClH/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14;/h1-2,4,8H,3,12H2,(H,13,14);1H
InChI Key:
VAISQIUJIKNCPW-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)Cc1cc(Cl)cc(c1)Cl.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.978g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.534g/mol
Monoisotopic Mass:
268.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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