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116986-14-2 | 4-Pyridinecarbonitrile, 3-(bromomethyl)-
CAS No: 116986-14-2 Catalog No: AG000DGD MDL No:
Product Description
Catalog Number:
AG000DGD
Chemical Name:
4-Pyridinecarbonitrile, 3-(bromomethyl)-
CAS Number:
116986-14-2
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
IUPAC Name:
3-(bromomethyl)pyridine-4-carbonitrile
InChI:
InChI=1S/C7H5BrN2/c8-3-7-5-10-2-1-6(7)4-9/h1-2,5H,3H2
InChI Key:
WETPQJZGSNAKCG-UHFFFAOYSA-N
SMILES:
BrCc1cnccc1C#N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.035g/mol
Monoisotopic Mass:
195.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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