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26454-84-2 | 3-Furancarbonitrile, 2-amino-5-(4-methylphenyl)-
CAS No: 26454-84-2 Catalog No: AG002T9W MDL No:MFCD00477075
Product Description
Catalog Number:
AG002T9W
Chemical Name:
3-Furancarbonitrile, 2-amino-5-(4-methylphenyl)-
CAS Number:
26454-84-2
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
MDL Number:
MFCD00477075
IUPAC Name:
2-amino-5-(4-methylphenyl)furan-3-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-8-2-4-9(5-3-8)11-6-10(7-13)12(14)15-11/h2-6H,14H2,1H3
InChI Key:
GMZCUKLVBYGBAZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(oc1N)c1ccc(cc1)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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