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57667-10-4 | 5-(4-Bromophenyl);furan-2-carbonitrile
CAS No: 57667-10-4 Catalog No: AG003M57 MDL No:
Product Description
Catalog Number:
AG003M57
Chemical Name:
5-(4-Bromophenyl);furan-2-carbonitrile
CAS Number:
57667-10-4
Molecular Formula:
C11H6BrNO
Molecular Weight:
248.0754
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
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