Home Other Building Blocks 5-(4-BROMO-PHENYL)-FURAN-2-CARBONITRILE

5-(4-BROMO-PHENYL)-FURAN-2-CARBONITRILE

CAS No.:
57667-10-4
Catalog Number:
AG003M57
Molecular Formula:
C11H6BrNO
Molecular Weight:
248.0754
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Product Description
Catalog Number:
AG003M57
Chemical Name:
5-(4-BROMO-PHENYL)-FURAN-2-CARBONITRILE
CAS Number:
57667-10-4
Molecular Formula:
C11H6BrNO
Molecular Weight:
248.0754
MDL Number:
MFCD02256039
IUPAC Name:
5-(4-bromophenyl)furan-2-carbonitrile
InChI:
InChI=1S/C11H6BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H
InChI Key:
GJJXDBAOTCRRSG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(o1)c1ccc(cc1)Br
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.963g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.079g/mol
Monoisotopic Mass:
246.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties