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123064-91-5 | Pyrrolo[4,3,2-de]quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-1-methyl-
CAS No: 123064-91-5 Catalog No: AG000K05 MDL No:
Product Description
Catalog Number:
AG000K05
Chemical Name:
Pyrrolo[4,3,2-de]quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-1-methyl-
CAS Number:
123064-91-5
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
IUPAC Name:
9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8-triene-10,11-dione
InChI:
InChI=1S/C11H9ClN2O2/c1-14-4-5-2-3-13-8-6(5)9(14)11(16)10(15)7(8)12/h4,13H,2-3H2,1H3
InChI Key:
PDESZTFOYLDOBQ-UHFFFAOYSA-N
SMILES:
ClC1=C2NCCc3c2c(C(=O)C1=O)n(c3)C
NSC Number:
700002
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Batzelline D and isobatzelline E from the indopacific sponge Zyzzya fuliginosa. | Journal of natural products 20020501 |
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