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Home > Bromides > 1393534-88-7
1393534-88-7 | 2-Pyridinecarbonitrile, 5-bromo-3-(phenylmethoxy)-
CAS No: 1393534-88-7 Catalog No: AG001ATQ MDL No:
Product Description
Catalog Number:
AG001ATQ
Chemical Name:
2-Pyridinecarbonitrile, 5-bromo-3-(phenylmethoxy)-
CAS Number:
1393534-88-7
Molecular Formula:
C13H9BrN2O
Molecular Weight:
289.1274
IUPAC Name:
5-bromo-3-phenylmethoxypyridine-2-carbonitrile
InChI:
InChI=1S/C13H9BrN2O/c14-11-6-13(12(7-15)16-8-11)17-9-10-4-2-1-3-5-10/h1-6,8H,9H2
InChI Key:
CEPUJZYLEQUYSL-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1OCc1ccccc1)Br
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.132g/mol
Monoisotopic Mass:
287.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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