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237-44-5 | Benzo[6,7]cyclohept[1,2-b]indole (8CI,9CI)
CAS No: 237-44-5 Catalog No: AG002O6Z MDL No:
Product Description
Catalog Number:
AG002O6Z
Chemical Name:
Benzo[6,7]cyclohept[1,2-b]indole (8CI,9CI)
CAS Number:
237-44-5
Molecular Formula:
C17H11N
Molecular Weight:
229.2759
IUPAC Name:
18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
InChI:
InChI=1S/C17H11N/c1-2-8-13-12(6-1)7-5-10-15-14-9-3-4-11-16(14)18-17(13)15/h1-11H
InChI Key:
VAFQHSCSNQDCSP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1nc3c(c1ccc2)cccc3
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.282g/mol
Monoisotopic Mass:
229.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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