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4-Nitro-L-phenylalanine

CAT: 0127-OR0679-01Size: 25 gDry Ice: NoHazardous: No
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CAS Number
949-99-5
MDL Number
MFCD00051221
Purity
=95%
Smiles
N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)O

Chemical Information

4-Nitro-3-phenyl-L-alanine

4-nitro-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a nitro group at position 4 of the phenyl ring. It is a C-nitro compound and a L-phenylalanine derivative.

CAS Number949-99-5
PubChem CID13706
IUPAC Name(2S)-2-amino-3-(4-nitrophenyl)propanoic acid
Molecular FormulaC9H10N2O4
Molecular Weight210.19
XLogP-1.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity243
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey
GTVVZTAFGPQSPC-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitro-3-phenyl-L-alanine
CAS: 949-99-5
CID: 13706
Formula: C9H10N2O4
MW: 210.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.19
XLogP3-1.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass210.06405680
Monoisotopic Mass210.06405680
Topological Polar Surface Area109 Ų
Heavy Atom Count15
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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