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2-[(3-bromophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one,

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摘 要: 2-[(3-bromophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one,Canonical SMILES: COC1=CC2=C(CCC(=CC3=CC(=CC=C3)Br)C2=O)C=C1,InChI: InChI=1/C18H15BrO2/c1-21-16-8-7-13-5-6-14(18(20)17(13)11-16)9-12-3-2-4-,15(19)10-12/h2-4,7-11H,5-6H2,1H3,Molecul
[Synonyms]

[Structure]
 2-[(3-bromophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one,

[ Properties Computed from Structure]
Molecular Weight343.2145 [g/mol]
Molecular FormulaC18H15BrO2
XLogP4.6
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass342.025542
MonoIsotopic Mass342.025542
Topological Polar Surface Area26.3
Heavy Atom Count21
Formal Charge0
Complexity417
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: 2-[(3-bromophenyl)methylidene]-7-methoxy-3,4-dihydronaphthalen-1-one
Canonical SMILES: COC1=CC2=C(CCC(=CC3=CC(=CC=C3)Br)C2=O)C=C1
InChI: InChI=1/C18H15BrO2/c1-21-16-8-7-13-5-6-14(18(20)17(13)11-16)9-12-3-2-4-
15(19)10-12/h2-4,7-11H,5-6H2,1H3

 
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