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BRN 0749916,LS-34240,5-25-02-00008 (Beilstein Handbook Reference),1,3-

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摘 要:BRN 0749916,LS-34240,5-25-02-00008 (Beilstein Handbook Reference),1,3-Dihydro-7-chloro-5-methoxy-1-methyl-2H-1,4-benzodiazepin-2-one,2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-,20430-80-2, 7-chloro-5-methoxy-1-methyl-3H-1,4-b
[Synonyms]
BRN 0749916
LS-34240
5-25-02-00008 (Beilstein Handbook Reference)
1,3-Dihydro-7-chloro-5-methoxy-1-methyl-2H-1,4-benzodiazepin-2-one
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-
20430-80-2

[Structure]
BRN 0749916,LS-34240,5-25-02-00008 (Beilstein Handbook Reference),1,3-

[ Properties Computed from Structure]
Molecular Weight238.67024 [g/mol]
Molecular FormulaC11H11ClN2O2
XLogP1.3
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass238.050905
MonoIsotopic Mass238.050905
Topological Polar Surface Area41.9
Heavy Atom Count16
Formal Charge0
Complexity319
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: 7-chloro-5-methoxy-1-methyl-3H-1,4-benzodiazepin-2-one
Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)OC
InChI: InChI=1/C11H11ClN2O2/c1-14-9-4-3-7(12)5-8(9)11(16-2)13-6-10(14)15/h3-5H,
6H2,1-2H3

 
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