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93659-10-0 | 1H-Cycloocta[e]benzimidazole(9CI)
CAS No: 93659-10-0 Catalog No: AG006EOC MDL No:
Product Description
Catalog Number:
AG006EOC
Chemical Name:
1H-Cycloocta[e]benzimidazole(9CI)
CAS Number:
93659-10-0
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
(10Z,12Z,14Z)-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7,10,12,14-heptaene
InChI:
InChI=1S/C13H10N2/c1-2-4-6-11-10(5-3-1)7-8-12-13(11)15-9-14-12/h1-9H,(H,14,15)/b2-1-,3-1?,4-2?,5-3-,6-4-,10-5?,11-6?
InChI Key:
HSDZJKRAEYOXRK-RGCUJYPXSA-N
SMILES:
C1=CC=Cc2c(C=C1)c1[nH]cnc1cc2
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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