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Home > Nitro Compounds > 86453-93-2
86453-93-2 | Benzene, 1-(dibutoxymethyl)-3-nitro-
CAS No: 86453-93-2 Catalog No: AG004X9Z MDL No:
Product Description
Catalog Number:
AG004X9Z
Chemical Name:
Benzene, 1-(dibutoxymethyl)-3-nitro-
CAS Number:
86453-93-2
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
1-(dibutoxymethyl)-3-nitrobenzene
InChI:
InChI=1S/C15H23NO4/c1-3-5-10-19-15(20-11-6-4-2)13-8-7-9-14(12-13)16(17)18/h7-9,12,15H,3-6,10-11H2,1-2H3
InChI Key:
CTFLQPOPGZXGRR-UHFFFAOYSA-N
SMILES:
CCCCOC(c1cccc(c1)[N+](=O)[O-])OCCCC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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