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Home > Nitro Compounds > 88556-11-0
88556-11-0 | L-Phenylalanine, 4-nitro-N-(phenoxyacetyl)-
CAS No: 88556-11-0 Catalog No: AG004EAY MDL No:
Product Description
Catalog Number:
AG004EAY
Chemical Name:
L-Phenylalanine, 4-nitro-N-(phenoxyacetyl)-
CAS Number:
88556-11-0
Molecular Formula:
C17H16N2O6
Molecular Weight:
344.3187
IUPAC Name:
3-(4-nitrophenyl)-2-[(2-phenoxyacetyl)amino]propanoic acid
InChI:
InChI=1S/C17H16N2O6/c20-16(11-25-14-4-2-1-3-5-14)18-15(17(21)22)10-12-6-8-13(9-7-12)19(23)24/h1-9,15H,10-11H2,(H,18,20)(H,21,22)
InChI Key:
NEJIRCWBGXSCDL-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])COc1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.323g/mol
Monoisotopic Mass:
344.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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