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122851-60-9 | 2-Pyridineacetonitrile, 3-bromo-
CAS No: 122851-60-9 Catalog No: AG000JLU MDL No:MFCD09999977
Product Description
Catalog Number:
AG000JLU
Chemical Name:
2-Pyridineacetonitrile, 3-bromo-
CAS Number:
122851-60-9
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD09999977
IUPAC Name:
2-(3-bromopyridin-2-yl)acetonitrile
InChI:
InChI=1S/C7H5BrN2/c8-6-2-1-5-10-7(6)3-4-9/h1-2,5H,3H2
InChI Key:
TYSWNHWAGMAOJF-UHFFFAOYSA-N
SMILES:
N#CCc1ncccc1Br
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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