200,000+ products from a single source!
sales@angenechem.com
19840-44-9 | 3-Pyridinecarbonitrile, 5-bromo-1,6-dihydro-6-oxo-
CAS No: 19840-44-9 Catalog No: AG002BHR MDL No:MFCD11100229
Product Description
Catalog Number:
AG002BHR
Chemical Name:
3-Pyridinecarbonitrile, 5-bromo-1,6-dihydro-6-oxo-
CAS Number:
19840-44-9
Molecular Formula:
C6H3BrN2O
Molecular Weight:
199.0048
MDL Number:
MFCD11100229
IUPAC Name:
5-bromo-6-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChI Key:
NCIBXYJEJGGUFF-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c(=O)c(c1)Br
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.