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23277-04-5 | Isoquinolinium, 2-(phenylmethyl)-, bromide (1:1)
CAS No: 23277-04-5 Catalog No: AG002MQT MDL No:
Product Description
Catalog Number:
AG002MQT
Chemical Name:
Isoquinolinium, 2-(phenylmethyl)-, bromide (1:1)
CAS Number:
23277-04-5
Molecular Formula:
C16H14BrN
Molecular Weight:
300.1931
IUPAC Name:
2-benzylisoquinolin-2-ium;bromide
InChI:
InChI=1S/C16H14N.BrH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1
InChI Key:
HIGCDVRJXBJGLM-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1ccc2c(c1)cccc2.[Br-]
NSC Number:
131465
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.199g/mol
Monoisotopic Mass:
299.031g/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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