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Home > Nitro Compounds > 1393846-44-0
1393846-44-0 | 1-[2-(tert-butoxy)ethoxy]-3-nitrobenzene
CAS No: 1393846-44-0 Catalog No: AG00IQBE MDL No:MFCD22383960
Product Description
Catalog Number:
AG00IQBE
Chemical Name:
1-[2-(tert-butoxy)ethoxy]-3-nitrobenzene
CAS Number:
1393846-44-0
Molecular Formula:
C12H17NO4
Molecular Weight:
239.2677
MDL Number:
MFCD22383960
IUPAC Name:
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-nitrobenzene
InChI:
InChI=1S/C12H17NO4/c1-12(2,3)17-8-7-16-11-6-4-5-10(9-11)13(14)15/h4-6,9H,7-8H2,1-3H3
InChI Key:
AGHKPOXEOZKECV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCCOC(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.271g/mol
Monoisotopic Mass:
239.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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