4-Nitro-DL-phenylalanine

CAT: 0024-sc-254710Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254710Size:5 g

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CAS Number

2922-40-9

Chemical Information

4-Nitrophenylalanine

4-nitrophenylalanine is a C-nitro compound. It is functionally related to a phenylalanine.

CAS Number	2922-40-9
PubChem CID	65089
IUPAC Name	2-amino-3-(4-nitrophenyl)propanoic acid
Molecular Formula	C9H10N2O4
Molecular Weight	210.19
XLogP	-1.2
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	243

SMILES

C1=CC(=CC=C1CC(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)

InChIKey

GTVVZTAFGPQSPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2922-40-9

CID: 65089

Formula: C9H10N2O4

MW: 210.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.19
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	210.06405680
Monoisotopic Mass	210.06405680
Topological Polar Surface Area	109 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-397804	4-Chloro-DL-phenylalanine
sc-289902	4-Amino-DL-phenylalanine
sc-471331	DL-Phenylalanine 4-nitroanilide
sc-470219	4-Cyano-DL-phenylalanine
sc-289902A	4-Amino-DL-phenylalanine
sc-256661	4- (Trifluoromethyl) -DL-phenylalanine
sc-220966A	4-Nitro-L-phenylalanine
sc-220966	4-Nitro-L-phenylalanine
sc-239829A	DL-Phenylalanine
sc-239829	DL-Phenylalanine

Catalog	Name
433228-01	4-Nitro-DL-phenylalanine
OR943164-01	3-Nitro-DL-phenylalanine
233428-01	4-Nitro-DL-phenylalanine hydrate 99+% (HPLC)
67921724	3-Nitro-DL-phenylalanine hydrate
431806-01	4-Chloro-DL-phenylalanine
430503-01	4-Borono-dl-phenylalanine
276113-01	4-Fluoro-DL-phenylalanine
269765-01	4-Cyano-DL-phenylalanine
MBS9022298-01	4-(Trifluoromethoxy)-DL-phenylalanine
OR960745-01	4-Methoxy-DL-phenylalanine