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162687-39-0 | 1-Benzyl-3-bromoquinolin-1-ium bromide
CAS No: 162687-39-0 Catalog No: AG01EUAH MDL No:
Product Description
Catalog Number:
AG01EUAH
Chemical Name:
1-Benzyl-3-bromoquinolin-1-ium bromide
CAS Number:
162687-39-0
Molecular Formula:
C16H13Br2N
Molecular Weight:
379.0891
IUPAC Name:
1-benzyl-3-bromoquinolin-1-ium;bromide
InChI:
InChI=1S/C16H13BrN.BrH/c17-15-10-14-8-4-5-9-16(14)18(12-15)11-13-6-2-1-3-7-13;/h1-10,12H,11H2;1H/q+1;/p-1
InChI Key:
LMAFDHVDLAFKPR-UHFFFAOYSA-M
SMILES:
Brc1cc2ccccc2[n+](c1)Cc1ccccc1.[Br-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.939g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.095g/mol
Monoisotopic Mass:
376.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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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