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66327-71-7 | 1H-CYCLOBUTA[4,5]PYRROLO[1,2-A]BENZO[D]IMIDAZOLE
CAS No: 66327-71-7 Catalog No: AG006NC1 MDL No:
Product Description
Catalog Number:
AG006NC1
Chemical Name:
1H-CYCLOBUTA[4,5]PYRROLO[1,2-A]BENZO[D]IMIDAZOLE
CAS Number:
66327-71-7
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
IUPAC Name:
1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene
InChI:
InChI=1S/C12H8N2/c1-2-4-11-9(3-1)13-12-7-8-5-6-10(8)14(11)12/h1-4,6-7H,5H2
InChI Key:
VFDLRSKUCVWEKV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1c(n2)cc2c1=CC2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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