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Home Nitros N-o-nitrophenylglycine

N-o-nitrophenylglycine

CAS No.:
5427-99-6
Catalog Number:
AG00E0WL
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG00E0WL
Chemical Name:
N-o-nitrophenylglycine
CAS Number:
5427-99-6
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00771928
IUPAC Name:
2-(2-nitroanilino)acetic acid
InChI:
InChI=1S/C8H8N2O4/c11-8(12)5-9-6-3-1-2-4-7(6)10(13)14/h1-4,9H,5H2,(H,11,12)
InChI Key:
LGBCEZSPCHBRFQ-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ccccc1[N+](=O)[O-]
NSC Number:
12787
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
N-acyl-N-carboxymethyl-2-nitroaniline and its analogues: a new class of water-soluble photolabile precursor of carboxylic acids. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20120301
Concurrent detection of circulating minor histocompatibility antigen-specific CD8+ T cells in SCT recipients by combinatorial encoding MHC multimers. PloS one 20110101
Properties