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24903-46-6 | Phenanthro[2,3-h]isoquinoline (7CI,8CI,9CI)
CAS No: 24903-46-6 Catalog No: AG002PU1 MDL No:
Product Description
Catalog Number:
AG002PU1
Chemical Name:
Phenanthro[2,3-h]isoquinoline (7CI,8CI,9CI)
CAS Number:
24903-46-6
Molecular Formula:
C21H13N
Molecular Weight:
279.3346
IUPAC Name:
6-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaene
InChI:
InChI=1S/C21H13N/c1-2-4-18-14(3-1)5-7-16-11-17-8-6-15-9-10-22-13-21(15)20(17)12-19(16)18/h1-13H
InChI Key:
QVWJMXQQFRQGHC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.342g/mol
Monoisotopic Mass:
279.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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