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Home > Nitro Compounds > 1154321-16-0
1154321-16-0 | N-(butan-2-yl)-3-methyl-4-nitroaniline
CAS No: 1154321-16-0 Catalog No: AG01AYN7 MDL No:MFCD12169119
Product Description
Catalog Number:
AG01AYN7
Chemical Name:
N-(butan-2-yl)-3-methyl-4-nitroaniline
CAS Number:
1154321-16-0
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12169119
IUPAC Name:
N-butan-2-yl-3-methyl-4-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-4-9(3)12-10-5-6-11(13(14)15)8(2)7-10/h5-7,9,12H,4H2,1-3H3
InChI Key:
ZTFGXNHIILAXPN-UHFFFAOYSA-N
SMILES:
CCC(Nc1ccc(c(c1)C)[N+](=O)[O-])C
Properties
Complexity:
215
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:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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