Home Nitros 2-isobutoxy-4-methyl-1-nitrobenzene

2-isobutoxy-4-methyl-1-nitrobenzene

CAS No.:
640767-54-0
Catalog Number:
AG01DJLS
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
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Product Description
Catalog Number:
AG01DJLS
Chemical Name:
2-isobutoxy-4-methyl-1-nitrobenzene
CAS Number:
640767-54-0
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD27926815
IUPAC Name:
4-methyl-2-(2-methylpropoxy)-1-nitrobenzene
InChI:
InChI=1S/C11H15NO3/c1-8(2)7-15-11-6-9(3)4-5-10(11)12(13)14/h4-6,8H,7H2,1-3H3
InChI Key:
FEHPWJCEHZPRQF-UHFFFAOYSA-N
SMILES:
CC(COc1cc(C)ccc1[N+](=O)[O-])C
Properties
Complexity:
212  
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:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties