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158626-15-4 | 3-Pyridinecarbonitrile, 6-(bromomethyl)-
CAS No: 158626-15-4 Catalog No: AG001QDS MDL No:MFCD11227190
Product Description
Catalog Number:
AG001QDS
Chemical Name:
3-Pyridinecarbonitrile, 6-(bromomethyl)-
CAS Number:
158626-15-4
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD11227190
IUPAC Name:
6-(bromomethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5BrN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
InChI Key:
QWCGOMIAXFNYIV-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cn1)C#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:
1.2
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