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Home > Nitro Compounds > 216591-86-5
216591-86-5 | N-butyl-4-methyl-2-nitroaniline
CAS No: 216591-86-5 Catalog No: AG01AYKN MDL No:MFCD07437782
Product Description
Catalog Number:
AG01AYKN
Chemical Name:
N-butyl-4-methyl-2-nitroaniline
CAS Number:
216591-86-5
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD07437782
IUPAC Name:
N-butyl-4-methyl-2-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-3-4-7-12-10-6-5-9(2)8-11(10)13(14)15/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
ZDKXWRFUBCEGIT-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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