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4-bromo-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide,Canon

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摘 要: 4-bromo-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide,Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C=NNC(=O)C3=CC=C(C=C3)Br,InChI: InChI=1/C18H13BrN2O2/c19-15-9-7-13(8-10-15)18(23)21-20-11-14-6-5-12-3-1-,2-4-16(12)17(14)22/h1-11,22H,(H,21,23)
[Synonyms]

[Structure]
 4-bromo-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide,Canon

[ Properties Computed from Structure]
Molecular Weight369.21202 [g/mol]
Molecular FormulaC18H13BrN2O2
XLogP5.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count8
Exact Mass368.01604
MonoIsotopic Mass368.01604
Topological Polar Surface Area61.7
Heavy Atom Count23
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-bromo-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C=NNC(=O)C3=CC=C(C=C3)Br
InChI: InChI=1/C18H13BrN2O2/c19-15-9-7-13(8-10-15)18(23)21-20-11-14-6-5-12-3-1-
2-4-16(12)17(14)22/h1-11,22H,(H,21,23)/f/h21H

 
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