3-Nitro-D-phenylalanine

CAT: 0127-OR14708-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR14708-01Size:250 mg

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CAS Number

169530-97-6

MDL Number

MFCD04117829

Purity

97%

Smiles

N[C@H](Cc1cccc(c1)[N+](=O)[O-])C(=O)O

Chemical Information

(R)-2-Amino-3-(3-nitrophenyl)propanoic acid

CAS Number	169530-97-6
PubChem CID	7000156
IUPAC Name	(2R)-2-amino-3-(3-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	251

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C[C@H](C(=O)O)N

InChI

InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1

InChIKey

YTHDRUZHNYKZGF-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 169530-97-6

CID: 7000156

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	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR9505-01	4-Nitro-D-phenylalanine
OR14706-01	2-Nitro-D-phenylalanine
OR8781-01	4-Nitro-D-phenylalanine hydrate
OR14707-01	3-Nitro-L-phenylalanine
OR943164-01	3-Nitro-DL-phenylalanine
OR14579	2-Nitro-D-phenylalanine, N-FMOC protected
OR14587-01	4-Nitro-D-phenylalanine, N-FMOC protected
OR14577	2-Nitro-D-phenylalanine, N-BOC protected
OR14585-01	4-Nitro-D-phenylalanine, N-BOC protected
OR14705	2-Nitro-L-phenylalanine

Catalog	Name
sc-471545	3-Nitro-D-phenylalanine
277564-01	Fmoc-3-nitro-D-phenylalanine
265401-01	Boc-3-nitro-D-phenylalanine
sc-212505	P-Nitro-D-phenylalanine
232087-01	3-Nitro-D-phenylalanine 98+% (HPLC)
277154-01	Fmoc-4-nitro-D-phenylalanine
265398-01	Boc-2-nitro-D-phenylalanine
FN26301-01	4-Nitro-D-phenylalanine hydrate
233427-01	4-Nitro-D-phenylalanine monohydrate
277559-01	Fmoc-2-nitro-D-phenylalanine