Home Other Building Blocks 3-BROMO-6-OXO-1,6-DIHYDROPYRIDINE-2-CARBONITRILE

3-BROMO-6-OXO-1,6-DIHYDROPYRIDINE-2-CARBONITRILE

CAS No.:
1186637-40-0
Catalog Number:
AG01DMI0
Molecular Formula:
C6H3BrN2O
Molecular Weight:
199.0048
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Product Description
Catalog Number:
AG01DMI0
Chemical Name:
3-BROMO-6-OXO-1,6-DIHYDROPYRIDINE-2-CARBONITRILE
CAS Number:
1186637-40-0
Molecular Formula:
C6H3BrN2O
Molecular Weight:
199.0048
MDL Number:
MFCD20482850
IUPAC Name:
3-bromo-6-oxo-1H-pyridine-2-carbonitrile
InChI:
InChI=1S/C6H3BrN2O/c7-4-1-2-6(10)9-5(4)3-8/h1-2H,(H,9,10)
InChI Key:
KWQPGYCCQXLCIZ-UHFFFAOYSA-N
SMILES:
Brc1ccc(=O)[nH]c1C#N
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.943g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.007g/mol
Monoisotopic Mass:
197.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties