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116195-82-5 | Propanedinitrile, 2-(5-bromo-2-pyridinyl)-
CAS No: 116195-82-5 Catalog No: AG000BUX MDL No:
Product Description
Catalog Number:
AG000BUX
Chemical Name:
Propanedinitrile, 2-(5-bromo-2-pyridinyl)-
CAS Number:
116195-82-5
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
IUPAC Name:
2-(5-bromopyridin-2-yl)propanedinitrile
InChI:
InChI=1S/C8H4BrN3/c9-7-1-2-8(12-5-7)6(3-10)4-11/h1-2,5-6H
InChI Key:
VFTDUVQHWCLDTO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cn1)Br)C#N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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