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239-86-1 | 13H-Benz[4,5]indeno[1,2-b]quinoline
CAS No: 239-86-1 Catalog No: AG006XO0 MDL No:
Product Description
Catalog Number:
AG006XO0
Chemical Name:
13H-Benz[4,5]indeno[1,2-b]quinoline
CAS Number:
239-86-1
Molecular Formula:
C20H13N
Molecular Weight:
267.3239
IUPAC Name:
3-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
InChI:
InChI=1S/C20H13N/c1-3-7-16-13(5-1)9-10-17-18(16)12-15-11-14-6-2-4-8-19(14)21-20(15)17/h1-11H,12H2
InChI Key:
AZVSKPOEMOXIJR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1Cc3c(c1cc2)nc1c(c3)cccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.331g/mol
Monoisotopic Mass:
267.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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