Home Halogens 3-Pyridazinecarbonitrile, 6-bromo-

3-Pyridazinecarbonitrile, 6-bromo-

CAS No.:
1027513-40-1
Catalog Number:
AG0008A2
Molecular Formula:
C5H2BrN3
Molecular Weight:
183.9935
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Product Description
Catalog Number:
AG0008A2
Chemical Name:
3-Pyridazinecarbonitrile, 6-bromo-
CAS Number:
1027513-40-1
Molecular Formula:
C5H2BrN3
Molecular Weight:
183.9935
IUPAC Name:
6-bromopyridazine-3-carbonitrile
InChI:
InChI=1S/C5H2BrN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
InChI Key:
AEVIUUDDMKPRHQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(nn1)C#N
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.943g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.996g/mol
Monoisotopic Mass:
182.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties