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129693-89-6

129693-89-6 | Benzo[lmn][3,8]phenanthrolinium, 2-methyl-

CAS No: 129693-89-6 Catalog No: AG000TLS MDL No:

Product Description

Catalog Number:
AG000TLS
Chemical Name:
Benzo[lmn][3,8]phenanthrolinium, 2-methyl-
CAS Number:
129693-89-6
Molecular Formula:
C15H11N2+
Molecular Weight:
219.2612
IUPAC Name:
6-methyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
InChI:
InChI=1S/C15H11N2/c1-17-8-12-4-2-10-6-16-7-11-3-5-13(9-17)15(12)14(10)11/h2-9H,1H3/q+1
InChI Key:
BNSBLOJAOBUSCP-UHFFFAOYSA-N
SMILES:
C[n+]1cc2ccc3c4c2c(c1)ccc4cnc3

Properties

Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.092g/mol
Formal Charge:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.267g/mol
Monoisotopic Mass:
219.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
16.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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