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AG-205/10700041,A1274/0058266,6,8-dibromo-2-{3-nitrophenyl}-4H-3,1-ben

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摘 要:AG-205/10700041,A1274/0058266,6,8-dibromo-2-{3-nitrophenyl}-4H-3,1-benzoxazin-4-one, 6,8-dibromo-2-(3-nitrophenyl)-3,1-benzoxazin-4-one,Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=C(C=C3C(=O)O2)Br)Br,InChI: InChI=1/C14H6Br2N2O4/c15-8-5-10
[Synonyms]
AG-205/10700041
A1274/0058266
6,8-dibromo-2-{3-nitrophenyl}-4H-3,1-benzoxazin-4-one

[Structure]
AG-205/10700041,A1274/0058266,6,8-dibromo-2-{3-nitrophenyl}-4H-3,1-ben

[ Properties Computed from Structure]
Molecular Weight426.01644 [g/mol]
Molecular FormulaC14H6Br2N2O4
XLogP4.7
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count1
Exact Mass425.867385
MonoIsotopic Mass423.869432
Topological Polar Surface Area81.8
Heavy Atom Count22
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 6,8-dibromo-2-(3-nitrophenyl)-3,1-benzoxazin-4-one
Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=C(C=C3C(=O)O2)Br)Br
InChI: InChI=1/C14H6Br2N2O4/c15-8-5-10-12(11(16)6-8)17-13(22-14(10)19)7-2-1-3-9
(4-7)18(20)21/h1-6H

 
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