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24496-61-5 | Benzo[a]thebenidine (9CI)
CAS No: 24496-61-5 Catalog No: AG002OBX MDL No:
Product Description
Catalog Number:
AG002OBX
Chemical Name:
Benzo[a]thebenidine (9CI)
CAS Number:
24496-61-5
Molecular Formula:
C19H11N
Molecular Weight:
253.2973
IUPAC Name:
10-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
InChI:
InChI=1S/C19H11N/c1-2-7-15-13(4-1)10-17-19-16(15)9-8-12-5-3-6-14(11-20-17)18(12)19/h1-11H
InChI Key:
PEBQIFMWCGMHEB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1ccc3c4c1c(c2)ncc4ccc3
NSC Number:
154308
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.304g/mol
Monoisotopic Mass:
253.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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