Home Nitriles 5-formylbenzofuran-2-carbonitrile

5-formylbenzofuran-2-carbonitrile

CAS No.:
1258154-58-3
Catalog Number:
AG01BJ34
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
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Product Description
Catalog Number:
AG01BJ34
Chemical Name:
5-formylbenzofuran-2-carbonitrile
CAS Number:
1258154-58-3
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
MDL Number:
MFCD20923632
IUPAC Name:
5-formyl-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C10H5NO2/c11-5-9-4-8-3-7(6-12)1-2-10(8)13-9/h1-4,6H
InChI Key:
WSXIBCRETBRQRW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cc(o2)C#N
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.032g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.155g/mol
Monoisotopic Mass:
171.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties