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82127-26-2 | 2-Bromo-4,6-diphenylnicotinonitrile
CAS No: 82127-26-2 Catalog No: AG004W6I MDL No:MFCD00418222
Product Description
Catalog Number:
AG004W6I
Chemical Name:
2-Bromo-4,6-diphenylnicotinonitrile
CAS Number:
82127-26-2
Molecular Formula:
C18H11BrN2
Molecular Weight:
335.1973
MDL Number:
MFCD00418222
IUPAC Name:
2-bromo-4,6-diphenylpyridine-3-carbonitrile
InChI:
InChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H
InChI Key:
MHQOWNRJNSJRED-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.204g/mol
Monoisotopic Mass:
334.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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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