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Home > Pyridines > 113918-51-7
113918-51-7 | Pyrido[1,2-b][2,4]benzodiazepin-6(11H)-imine
CAS No: 113918-51-7 Catalog No: AG000A2F MDL No:
Product Description
Catalog Number:
AG000A2F
Chemical Name:
Pyrido[1,2-b][2,4]benzodiazepin-6(11H)-imine
CAS Number:
113918-51-7
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine
InChI:
InChI=1S/C13H11N3/c14-13-11-6-2-1-5-10(11)9-16-8-4-3-7-12(16)15-13/h1-8,14H,9H2
InChI Key:
ZPDCPCGOMKZJCQ-UHFFFAOYSA-N
SMILES:
N=C1N=c2ccccn2Cc2c1cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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