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207727-86-4

207727-86-4 | L-Tyrosine, O-[(2-nitrophenyl)methyl]-, hydrochloride (1:1)

CAS No: 207727-86-4 Catalog No: AG002J8U MDL No:MFCD16495886

Product Description

Catalog Number:
AG002J8U
Chemical Name:
L-Tyrosine, O-[(2-nitrophenyl)methyl]-, hydrochloride (1:1)
CAS Number:
207727-86-4
Molecular Formula:
C16H17ClN2O5
Molecular Weight:
352.7696
MDL Number:
MFCD16495886
IUPAC Name:
(2S)-2-amino-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid;hydrochloride
InChI:
InChI=1S/C16H16N2O5.ClH/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22;/h1-8,14H,9-10,17H2,(H,19,20);1H/t14-;/m0./s1
InChI Key:
DRUCEARMIBXBOJ-UQKRIMTDSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)OCc1ccccc1[N+](=O)[O-])N.Cl

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
352.083g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
352.771g/mol
Monoisotopic Mass:
352.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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