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859745-06-5 | 7-chlorodibenzo[c,h]acridine
CAS No: 859745-06-5 Catalog No: AG01FNJ6 MDL No:
Product Description
Catalog Number:
AG01FNJ6
Chemical Name:
7-chlorodibenzo[c,h]acridine
CAS Number:
859745-06-5
Molecular Formula:
C21H12ClN
Molecular Weight:
313.7797
IUPAC Name:
13-chloro-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
InChI:
InChI=1S/C21H12ClN/c22-19-17-11-9-13-5-1-3-7-15(13)20(17)23-21-16-8-4-2-6-14(16)10-12-18(19)21/h1-12H
InChI Key:
KXAUQHJDRHPCPU-UHFFFAOYSA-N
SMILES:
Clc1c2ccc3c(c2nc2c1ccc1c2cccc1)cccc3
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.784g/mol
Monoisotopic Mass:
313.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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