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88061-95-4 | 7,9-Dibromo-2,5-dimethoxy-1,3,4,6,9b-pentaazaphenalene
CAS No: 88061-95-4 Catalog No: AG004LC2 MDL No:
Product Description
Catalog Number:
AG004LC2
Chemical Name:
7,9-Dibromo-2,5-dimethoxy-1,3,4,6,9b-pentaazaphenalene
CAS Number:
88061-95-4
Molecular Formula:
C10H7Br2N5O2
Molecular Weight:
389.0029
IUPAC Name:
10,12-dibromo-3,7-dimethoxy-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
InChI:
InChI=1S/C10H7Br2N5O2/c1-18-9-13-6-4(11)3-5(12)7-14-10(19-2)16-8(15-9)17(6)7/h3H,1-2H3
InChI Key:
SVQBNYSGEFXLMQ-UHFFFAOYSA-N
SMILES:
COc1nc2nc(OC)nc3n2c(n1)c(Br)cc3Br
NSC Number:
370660
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.895g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.007g/mol
Monoisotopic Mass:
386.897g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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