3-Nitro-L-phenylalanine

CAT: 0926-FN50086-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FN50086-01Size:10 g

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CAS Number

19883-74-0

Synonyms

L-Phe (3-NO2) -OH; m-Nitro-phenylalanine

MDL Number

MFCD01860661

Smiles

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

Molecular Formula

C9H10N2O4

Molecular Weight

210.19 g/mol

Controlled

Chemical Information

3-Nitro-L-phenylalanine

3-nitro-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a nitro group at position 3 of the phenyl ring. It is a C-nitro compound and a L-phenylalanine derivative.

CAS Number	19883-74-0
PubChem CID	2761812
IUPAC Name	(2S)-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-/m0/s1

InChIKey

YTHDRUZHNYKZGF-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 19883-74-0

CID: 2761812

Formula: C9H10N2O4

MW: 210.19

Interactive 3D Structure

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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

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Alternative Products

Catalog	Name
285756-01	3-Nitro-L-phenylalanine
277571-01	Fmoc-3-nitro-L-phenylalanine
265407-01	Boc-3-nitro-L-phenylalanine
sc-260069	2-Nitro-L-phenylalanine
sc-220966A	4-Nitro-L-phenylalanine
sc-212506	P-Nitro-L-phenylalanine
232089-01	3-Nitro-L-phenylalanine 98+% (HPLC)
238021-01	Fmoc-3-nitro-L-phenylalanine 99+%
TSW-00214-01	Boc-2-nitro-L-phenylalanine
abx183636	4-Nitro-L-phenylalanine monohydrate

3-Nitro-L-phenylalanine

Chemical Information

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