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87829-57-0 | 2-Butanol, 1,4-bis[[(4-nitrophenyl)methylene]amino]-, (S)-
CAS No: 87829-57-0 Catalog No: AG004H7R MDL No:
Product Description
Catalog Number:
AG004H7R
Chemical Name:
2-Butanol, 1,4-bis[[(4-nitrophenyl)methylene]amino]-, (S)-
CAS Number:
87829-57-0
Molecular Formula:
C18H18N4O5
Molecular Weight:
370.3593
IUPAC Name:
(2S)-1,4-bis[(4-nitrophenyl)methylideneamino]butan-2-ol
InChI:
InChI=1S/C18H18N4O5/c23-18(13-20-12-15-3-7-17(8-4-15)22(26)27)9-10-19-11-14-1-5-16(6-2-14)21(24)25/h1-8,11-12,18,23H,9-10,13H2/t18-/m0/s1
InChI Key:
RFECFWYMKSTJGF-SFHVURJKSA-N
SMILES:
O[C@H](CN=Cc1ccc(cc1)[N+](=O)[O-])CCN=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
370.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.365g/mol
Monoisotopic Mass:
370.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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