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Home > Bromides > 1149593-21-4
1149593-21-4 | 2-Pyridinecarbonitrile, 5-bromo-6-propyl-
CAS No: 1149593-21-4 Catalog No: AG000FHK MDL No:MFCD27938963
Product Description
Catalog Number:
AG000FHK
Chemical Name:
2-Pyridinecarbonitrile, 5-bromo-6-propyl-
CAS Number:
1149593-21-4
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
MDL Number:
MFCD27938963
IUPAC Name:
5-bromo-6-propylpyridine-2-carbonitrile
InChI:
InChI=1S/C9H9BrN2/c1-2-3-9-8(10)5-4-7(6-11)12-9/h4-5H,2-3H2,1H3
InChI Key:
JQYRLLCHYJZUQY-UHFFFAOYSA-N
SMILES:
CCCc1nc(C#N)ccc1Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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