Boc-2-nitro-L-phenylalanine

CAT: 0926-FB50039-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FB50039-01Size:500 mg

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CAS Number

185146-84-3

Synonyms

Boc-L-Phe (2-NO2) -OH; Boc-o-nitro-L-Phe-OH

MDL Number

MFCD01317708

Smiles

CC (C) (C) OC (=O) N[C@@H] (CC1=CC=CC=C1[N+] (=O) [O-]) C (=O) O

Molecular Formula

C14H18N2O6

Molecular Weight

310.3 g/mol

Controlled

Chemical Information

(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid

CAS Number	185146-84-3
PubChem CID	2761798
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
Molecular Formula	C14H18N2O6
Molecular Weight	310.30
XLogP	2.3
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	426

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1

InChIKey

BSHMNGMAJNWNBP-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 185146-84-3

CID: 2761798

Formula: C14H18N2O6

MW: 310.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.30
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	310.11648630
Monoisotopic Mass	310.11648630
Topological Polar Surface Area	121 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	426
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
FB50042-01	Boc-3-nitro-L-phenylalanine
FN50087-01	2-Nitro-L-phenylalanine
FN46969-01	4-Nitro-L-phenylalanine
FN50086-01	3-Nitro-L-phenylalanine
FB47988-01	Boc-2-chloro-L-phenylalanine
REA36627	N-Boc-4-nitro-L-phenylalanine t-butyl ester
FB18956-01	N-Boc-L-phenylalanine
FF50058-01	Fmoc-3-nitro-L-phenylalanine
FB48378-01	Boc-4- (aminomethyl) -L-phenylalanine
FB47980	Boc-p-phenyl-L-Phenylalanine

Catalog	Name
TSW-00214-01	Boc-2-nitro-L-phenylalanine
235865-01	Boc-2-nitro-L-phenylalanine 98+%
sc-217776	Boc-4-Nitro-L-phenylalanine
265407-01	Boc-3-nitro-L-phenylalanine
OR14576-01	2-Nitro-L-phenylalanine, N-BOC protected
458395-01	N-Boc-p-nitro-L-phenylalanine
BOC189-01	BOC-4-Nitro-L- Phenylalanine for Biochemistry
sc-260069	2-Nitro-L-phenylalanine
265398-01	Boc-2-nitro-D-phenylalanine
14910-01	BOC-4-Nitro-L-Phenylalanine extrapure, 98%