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Home > Imidazoles > 98234-92-5
98234-92-5 | 7,8-Dimethoxy-5H-imidazo(2,1-c)(1,4)benzodiazepine
CAS No: 98234-92-5 Catalog No: AG005VNO MDL No:
Product Description
Catalog Number:
AG005VNO
Chemical Name:
7,8-Dimethoxy-5H-imidazo(2,1-c)(1,4)benzodiazepine
CAS Number:
98234-92-5
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
IUPAC Name:
7,8-dimethoxy-10H-imidazo[2,1-c][1,4]benzodiazepine
InChI:
InChI=1S/C13H13N3O2/c1-17-11-5-9-8-16-4-3-14-13(16)7-15-10(9)6-12(11)18-2/h3-7H,8H2,1-2H3
InChI Key:
AZFXZBBJFCADOP-UHFFFAOYSA-N
SMILES:
COc1cc2Cn3ccnc3C=Nc2cc1OC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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