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229-49-2 | Benzo[3,4]cyclohept[1,2-d]imidazole (7CI,8CI,9CI)
CAS No: 229-49-2 Catalog No: AG002LE2 MDL No:
Product Description
Catalog Number:
AG002LE2
Chemical Name:
Benzo[3,4]cyclohept[1,2-d]imidazole (7CI,8CI,9CI)
CAS Number:
229-49-2
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
IUPAC Name:
3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene
InChI:
InChI=1S/C12H8N2/c1-2-6-10-9(4-1)5-3-7-11-12(10)14-8-13-11/h1-8H
InChI Key:
YLIIJLOMXNLUQE-UHFFFAOYSA-N
SMILES:
c1nc2c(n1)c1ccccc1ccc2
Properties
Complexity:
205
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:
2
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:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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