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Home > Nitro Compounds > 63929-89-5
63929-89-5 | 1-Nitro-4-(pentan-3-yloxy)benzene
CAS No: 63929-89-5 Catalog No: AG01EWRG MDL No:
Product Description
Catalog Number:
AG01EWRG
Chemical Name:
1-Nitro-4-(pentan-3-yloxy)benzene
CAS Number:
63929-89-5
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
1-nitro-4-pentan-3-yloxybenzene
InChI:
InChI=1S/C11H15NO3/c1-3-10(4-2)15-11-7-5-9(6-8-11)12(13)14/h5-8,10H,3-4H2,1-2H3
InChI Key:
ZDBIVWYVBVQFLT-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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