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144873-99-4 | 3-Pyridineacetonitrile, 6-bromo-
CAS No: 144873-99-4 Catalog No: AG001KA5 MDL No:MFCD08706175
Product Description
Catalog Number:
AG001KA5
Chemical Name:
3-Pyridineacetonitrile, 6-bromo-
CAS Number:
144873-99-4
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD08706175
IUPAC Name:
2-(6-bromopyridin-3-yl)acetonitrile
InChI:
InChI=1S/C7H5BrN2/c8-7-2-1-6(3-4-9)5-10-7/h1-2,5H,3H2
InChI Key:
CTBARTMXUVSCRR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(nc1)Br
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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