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Home > Nitro Compounds > 101212-86-6
101212-86-6 | Benzene, 2-butoxy-4-methyl-1-nitro-
CAS No: 101212-86-6 Catalog No: AG000401 MDL No:
Product Description
Catalog Number:
AG000401
Chemical Name:
Benzene, 2-butoxy-4-methyl-1-nitro-
CAS Number:
101212-86-6
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2-butoxy-4-methyl-1-nitrobenzene
InChI:
InChI=1S/C11H15NO3/c1-3-4-7-15-11-8-9(2)5-6-10(11)12(13)14/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
DJKJFPPVKRPLKL-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(C)ccc1[N+](=O)[O-]
Properties
Complexity:
203
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:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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