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Home > Bromides > 1016772-13-6
1016772-13-6 | 6-(4-Bromophenoxy)pyridine-3-carbonitrile
CAS No: 1016772-13-6 Catalog No: AG01FBFY MDL No:
Product Description
Catalog Number:
AG01FBFY
Chemical Name:
6-(4-Bromophenoxy)pyridine-3-carbonitrile
CAS Number:
1016772-13-6
Molecular Formula:
C12H7BrN2O
Molecular Weight:
275.1008
IUPAC Name:
6-(4-bromophenoxy)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H7BrN2O/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H
InChI Key:
DEJCHHYJORWJGE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Oc1ccc(cc1)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.105g/mol
Monoisotopic Mass:
273.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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