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160065-90-7 | 9H-Pyrido[3,4-b]indole, 6-bromo-5-nitro-
CAS No: 160065-90-7 Catalog No: AG001RMX MDL No:
Product Description
Catalog Number:
AG001RMX
Chemical Name:
9H-Pyrido[3,4-b]indole, 6-bromo-5-nitro-
CAS Number:
160065-90-7
Molecular Formula:
C11H6BrN3O2
Molecular Weight:
292.0882
IUPAC Name:
6-bromo-5-nitro-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C11H6BrN3O2/c12-7-1-2-8-10(11(7)15(16)17)6-3-4-13-5-9(6)14-8/h1-5,14H
InChI Key:
GUUXIKDTCUGDEG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)ccc2c1c1ccncc1[nH]2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.964g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.092g/mol
Monoisotopic Mass:
290.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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