Home Halogens 2-Benzofurancarbonitrile, 3-amino-6-bromo-

2-Benzofurancarbonitrile, 3-amino-6-bromo-

CAS No.:
1379301-60-6
Catalog Number:
AG00144D
Molecular Formula:
C9H5BrN2O
Molecular Weight:
237.0528
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Product Description
Catalog Number:
AG00144D
Chemical Name:
2-Benzofurancarbonitrile, 3-amino-6-bromo-
CAS Number:
1379301-60-6
Molecular Formula:
C9H5BrN2O
Molecular Weight:
237.0528
MDL Number:
MFCD16657643
IUPAC Name:
3-amino-6-bromo-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C9H5BrN2O/c10-5-1-2-6-7(3-5)13-8(4-11)9(6)12/h1-3H,12H2
InChI Key:
UDEDNRWYHFARBO-UHFFFAOYSA-N
SMILES:
N#Cc1oc2c(c1N)ccc(c2)Br
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.959g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.056g/mol
Monoisotopic Mass:
235.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties