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Home > Nitro Compounds > 1254177-56-4
1254177-56-4 | 2-Furanpropanenitrile, α-(4-nitrophenyl)-
CAS No: 1254177-56-4 Catalog No: AG000NO3 MDL No:
Product Description
Catalog Number:
AG000NO3
Chemical Name:
2-Furanpropanenitrile, α-(4-nitrophenyl)-
CAS Number:
1254177-56-4
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
3-(furan-2-yl)-2-(4-nitrophenyl)propanenitrile
InChI:
InChI=1S/C13H10N2O3/c14-9-11(8-13-2-1-7-18-13)10-3-5-12(6-4-10)15(16)17/h1-7,11H,8H2
InChI Key:
OKTUPENKVAYNNP-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)[N+](=O)[O-])Cc1ccco1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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