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Home > Nitro Compounds > 1655-51-2
1655-51-2 | L-Tryptophan, N-(2,4-dinitrophenyl)-
CAS No: 1655-51-2 Catalog No: AG001W6G MDL No:
Product Description
Catalog Number:
AG001W6G
Chemical Name:
L-Tryptophan, N-(2,4-dinitrophenyl)-
CAS Number:
1655-51-2
Molecular Formula:
C17H14N4O6
Molecular Weight:
370.3163
IUPAC Name:
(2S)-2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C17H14N4O6/c22-17(23)15(7-10-9-18-13-4-2-1-3-12(10)13)19-14-6-5-11(20(24)25)8-16(14)21(26)27/h1-6,8-9,15,18-19H,7H2,(H,22,23)/t15-/m0/s1
InChI Key:
LAPUOPKWYOOCKL-HNNXBMFYSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1cccc2)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
216-738-3
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
370.091g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
370.321g/mol
Monoisotopic Mass:
370.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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