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Home > Nitro Compounds > 63469-11-4
63469-11-4 | Benzene, 1-nitro-4-(pentyloxy)-
CAS No: 63469-11-4 Catalog No: AG00IB7Z MDL No:
Product Description
Catalog Number:
AG00IB7Z
Chemical Name:
Benzene, 1-nitro-4-(pentyloxy)-
CAS Number:
63469-11-4
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
1-nitro-4-pentoxybenzene
InChI:
InChI=1S/C11H15NO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3
InChI Key:
ITRUYYFRYGZFBF-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
183
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:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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