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33901-46-1 | 2-(4-Nitrophenoxy)acetonitrile
CAS No: 33901-46-1 Catalog No: AG003LVR MDL No:MFCD00068120
Product Description
Catalog Number:
AG003LVR
Chemical Name:
2-(4-Nitrophenoxy)acetonitrile
CAS Number:
33901-46-1
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00068120
IUPAC Name:
2-(4-nitrophenoxy)acetonitrile
InChI:
InChI=1S/C8H6N2O3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,6H2
InChI Key:
HFRYXZNUOFIXGS-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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