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Home > Nitro Compounds > 1500720-04-6
1500720-04-6 | N-(butan-2-yl)-5-methyl-2-nitroaniline
CAS No: 1500720-04-6 Catalog No: AG01AWLG MDL No:MFCD23830885
Product Description
Catalog Number:
AG01AWLG
Chemical Name:
N-(butan-2-yl)-5-methyl-2-nitroaniline
CAS Number:
1500720-04-6
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD23830885
IUPAC Name:
N-butan-2-yl-5-methyl-2-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-4-9(3)12-10-7-8(2)5-6-11(10)13(14)15/h5-7,9,12H,4H2,1-3H3
InChI Key:
WAXHVPFXOANAOC-UHFFFAOYSA-N
SMILES:
CCC(Nc1cc(C)ccc1[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
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