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326617-79-2 | 14-iodo-1,10-diazatricyclo[9.4.0.0,3,8]pentadeca-3,5,7,10,12,14-hexaen-9-imine
CAS No: 326617-79-2 Catalog No: AG019H28 MDL No:MFCD02702265
Product Description
Catalog Number:
AG019H28
Chemical Name:
14-iodo-1,10-diazatricyclo[9.4.0.0,3,8]pentadeca-3,5,7,10,12,14-hexaen-9-imine
CAS Number:
326617-79-2
Molecular Formula:
C13H10IN3
Molecular Weight:
335.1431
MDL Number:
MFCD02702265
IUPAC Name:
2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-imine
InChI:
InChI=1S/C13H10IN3/c14-10-5-6-12-16-13(15)11-4-2-1-3-9(11)7-17(12)8-10/h1-6,8,15H,7H2
InChI Key:
KZXDKDKDPUMMKP-UHFFFAOYSA-N
SMILES:
Ic1ccc2=NC(=N)c3c(Cn2c1)cccc3
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.992g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.148g/mol
Monoisotopic Mass:
334.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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