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Home > Nitro Compounds > 227940-83-2
227940-83-2 | 3-nitro-4-(oxiran-2-ylmethoxy)benzonitrile
CAS No: 227940-83-2 Catalog No: AG019YU1 MDL No:MFCD16070856
Product Description
Catalog Number:
AG019YU1
Chemical Name:
3-nitro-4-(oxiran-2-ylmethoxy)benzonitrile
CAS Number:
227940-83-2
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD16070856
IUPAC Name:
3-nitro-4-(oxiran-2-ylmethoxy)benzonitrile
InChI:
InChI=1S/C10H8N2O4/c11-4-7-1-2-10(9(3-7)12(13)14)16-6-8-5-15-8/h1-3,8H,5-6H2
InChI Key:
FGXGLHPZJRBESD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])OCC1CO1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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