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116986-13-1 | 2-Pyridinecarbonitrile, 3-(bromomethyl)-
CAS No: 116986-13-1 Catalog No: AG000DGE MDL No:MFCD09030110
Product Description
Catalog Number:
AG000DGE
Chemical Name:
2-Pyridinecarbonitrile, 3-(bromomethyl)-
CAS Number:
116986-13-1
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD09030110
IUPAC Name:
3-(bromomethyl)pyridine-2-carbonitrile
InChI:
InChI=1S/C7H5BrN2/c8-4-6-2-1-3-10-7(6)5-9/h1-3H,4H2
InChI Key:
BSSLVCQAYWTRRC-UHFFFAOYSA-N
SMILES:
BrCc1cccnc1C#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:
1.5
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