Home Other Building Blocks 6-Bromo-3-cyano-2-iminocoumarin

6-Bromo-3-cyano-2-iminocoumarin

CAS No.:
860789-92-0
Catalog Number:
AG004U30
Molecular Formula:
C10H5BrN2O
Molecular Weight:
249.0635
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Product Description
Catalog Number:
AG004U30
Chemical Name:
6-Bromo-3-cyano-2-iminocoumarin
CAS Number:
860789-92-0
Molecular Formula:
C10H5BrN2O
Molecular Weight:
249.0635
MDL Number:
MFCD00115365
IUPAC Name:
6-bromo-2-iminochromene-3-carbonitrile
InChI:
InChI=1S/C10H5BrN2O/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4,13H
InChI Key:
CLQWATANMIRGHW-UHFFFAOYSA-N
SMILES:
Brc1cc2cc(C#N)c(=N)oc2cc1
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.959g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.067g/mol
Monoisotopic Mass:
247.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties