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Home > Nitro Compounds > 881995-25-1
881995-25-1 | Benzonitrile, 4-(3-methylphenoxy)-3-nitro-
CAS No: 881995-25-1 Catalog No: AG004DYD MDL No:
Product Description
Catalog Number:
AG004DYD
Chemical Name:
Benzonitrile, 4-(3-methylphenoxy)-3-nitro-
CAS Number:
881995-25-1
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
4-(3-methylphenoxy)-3-nitrobenzonitrile
InChI:
InChI=1S/C14H10N2O3/c1-10-3-2-4-12(7-10)19-14-6-5-11(9-15)8-13(14)16(17)18/h2-8H,1H3
InChI Key:
HORKIIILJZZCFT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])Oc1cccc(c1)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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