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124505-97-1 | 1-Hexanol, 6-[4-[[(4-nitrophenyl)methylene]amino]phenoxy]-
CAS No: 124505-97-1 Catalog No: AG000M4X MDL No:
Product Description
Catalog Number:
AG000M4X
Chemical Name:
1-Hexanol, 6-[4-[[(4-nitrophenyl)methylene]amino]phenoxy]-
CAS Number:
124505-97-1
Molecular Formula:
C19H22N2O4
Molecular Weight:
342.3890
IUPAC Name:
6-[4-[(4-nitrophenyl)methylideneamino]phenoxy]hexan-1-ol
InChI:
InChI=1S/C19H22N2O4/c22-13-3-1-2-4-14-25-19-11-7-17(8-12-19)20-15-16-5-9-18(10-6-16)21(23)24/h5-12,15,22H,1-4,13-14H2
InChI Key:
IYLJOCPKDINJKY-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1ccc(cc1)N=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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