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110748-80-6 | Pyrrolo[2',1':2,3]imidazo[4,5-e]benzotriazole(9CI)
CAS No: 110748-80-6 Catalog No: AG007U6E MDL No:
Product Description
Catalog Number:
AG007U6E
Chemical Name:
Pyrrolo[2',1':2,3]imidazo[4,5-e]benzotriazole(9CI)
CAS Number:
110748-80-6
Molecular Formula:
C10H5N5
Molecular Weight:
195.1802
IUPAC Name:
3,4,5,10,15-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
InChI:
InChI=1S/C10H5N5/c1-2-8-11-7-4-3-6-9(13-14-12-6)10(7)15(8)5-1/h1-5H
InChI Key:
NKENMZXECQZVAI-UHFFFAOYSA-N
SMILES:
N1=Nc2c(=N1)ccc1c2n2cccc2n1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.185g/mol
Monoisotopic Mass:
195.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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