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850349-66-5 | 3-Pyridineacetonitrile,a-[(3-bromophenyl)methyl]-
CAS No: 850349-66-5 Catalog No: AG004PVC MDL No:
Product Description
Catalog Number:
AG004PVC
Chemical Name:
3-Pyridineacetonitrile,a-[(3-bromophenyl)methyl]-
CAS Number:
850349-66-5
Molecular Formula:
C14H11BrN2
Molecular Weight:
287.1545
IUPAC Name:
3-(3-bromophenyl)-2-pyridin-3-ylpropanenitrile
InChI:
InChI=1S/C14H11BrN2/c15-14-5-1-3-11(8-14)7-13(9-16)12-4-2-6-17-10-12/h1-6,8,10,13H,7H2
InChI Key:
SNQNKRKVGXMCDL-UHFFFAOYSA-N
SMILES:
N#CC(c1cccnc1)Cc1cccc(c1)Br
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.16g/mol
Monoisotopic Mass:
286.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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