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18091-77-5 | Pyrido[4',3':4,5]imidazo[1,2-c][1,2,3]benzotriazine (8CI,9CI)
CAS No: 18091-77-5 Catalog No: AG0022H1 MDL No:
Product Description
Catalog Number:
AG0022H1
Chemical Name:
Pyrido[4',3':4,5]imidazo[1,2-c][1,2,3]benzotriazine (8CI,9CI)
CAS Number:
18091-77-5
Molecular Formula:
C12H7N5
Molecular Weight:
221.2175
IUPAC Name:
8,9,10,13,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene
InChI:
InChI=1S/C12H7N5/c1-2-4-9-8(3-1)12-14-10-5-6-13-7-11(10)17(12)16-15-9/h1-7H
InChI Key:
DGKJAQSECLEWLA-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nnn1c2nc2c1cncc2
UNII:
TBC3IO030S
NSC Number:
128734
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.223g/mol
Monoisotopic Mass:
221.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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