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Home > Nitro Compounds > 14401-07-1
14401-07-1 | Threonine, N-(2,4-dinitrophenyl)-
CAS No: 14401-07-1 Catalog No: AG001ISS MDL No:MFCD00070530
Product Description
Catalog Number:
AG001ISS
Chemical Name:
Threonine, N-(2,4-dinitrophenyl)-
CAS Number:
14401-07-1
Molecular Formula:
C10H11N3O7
Molecular Weight:
285.2102
MDL Number:
MFCD00070530
IUPAC Name:
2-(2,4-dinitroanilino)-3-hydroxybutanoic acid
InChI:
InChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)
InChI Key:
PWOCOTZWYFGDMO-UHFFFAOYSA-N
SMILES:
C[C@H]([C@@H](C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.212g/mol
Monoisotopic Mass:
285.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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