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Home > Nitro Compounds > 63929-84-0
63929-84-0 | 1-Nitro-2-(pentan-3-yloxy)benzene
CAS No: 63929-84-0 Catalog No: AG01EWRF MDL No:
Product Description
Catalog Number:
AG01EWRF
Chemical Name:
1-Nitro-2-(pentan-3-yloxy)benzene
CAS Number:
63929-84-0
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
1-nitro-2-pentan-3-yloxybenzene
InChI:
InChI=1S/C11H15NO3/c1-3-9(4-2)15-11-8-6-5-7-10(11)12(13)14/h5-9H,3-4H2,1-2H3
InChI Key:
AUTALUFKIARWSJ-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccccc1[N+](=O)[O-])CC
Properties
Complexity:
199
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:
3.6
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