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Home > Nitro Compounds > 15440-98-9
15440-98-9 | 1-(Hexyloxy);-4-nitrobenzene
CAS No: 15440-98-9 Catalog No: AG003LU8 MDL No:MFCD00043610
Product Description
Catalog Number:
AG003LU8
Chemical Name:
1-(Hexyloxy);-4-nitrobenzene
CAS Number:
15440-98-9
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD00043610
IUPAC Name:
1-hexoxy-4-nitrobenzene
InChI:
InChI=1S/C12H17NO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3
InChI Key:
VLMYJULPWGTTAV-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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