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Home > Nitro Compounds > 848665-64-5
848665-64-5 | 2-(4-NITRO-PHENYL)-3-OXO-PENTANENITRILE
CAS No: 848665-64-5 Catalog No: AG01BP2W MDL No:MFCD09032000
Product Description
Catalog Number:
AG01BP2W
Chemical Name:
2-(4-NITRO-PHENYL)-3-OXO-PENTANENITRILE
CAS Number:
848665-64-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD09032000
IUPAC Name:
2-(4-nitrophenyl)-3-oxopentanenitrile
InChI:
InChI=1S/C11H10N2O3/c1-2-11(14)10(7-12)8-3-5-9(6-4-8)13(15)16/h3-6,10H,2H2,1H3
InChI Key:
XJJLTXWTNOOHAF-UHFFFAOYSA-N
SMILES:
CCC(=O)C(c1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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