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18813-71-3 | 9H-Pyrido[3,4-b]indole, 6-bromo-1-methyl-
CAS No: 18813-71-3 Catalog No: AG002GQ5 MDL No:
Product Description
Catalog Number:
AG002GQ5
Chemical Name:
9H-Pyrido[3,4-b]indole, 6-bromo-1-methyl-
CAS Number:
18813-71-3
Molecular Formula:
C12H9BrN2
Molecular Weight:
261.1173
IUPAC Name:
6-bromo-1-methyl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
InChI Key:
MGPZBLVKGVLQIV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1ccnc(c1[nH]2)C
NSC Number:
97850
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.122g/mol
Monoisotopic Mass:
259.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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