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Home > Nitro Compounds > 172698-58-7
172698-58-7 | N-butyl-2-methyl-4-nitroaniline
CAS No: 172698-58-7 Catalog No: AG01AYK4 MDL No:MFCD11213982
Product Description
Catalog Number:
AG01AYK4
Chemical Name:
N-butyl-2-methyl-4-nitroaniline
CAS Number:
172698-58-7
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11213982
IUPAC Name:
N-butyl-2-methyl-4-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-3-4-7-12-11-6-5-10(13(14)15)8-9(11)2/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
FHQJOWDUDAKDSM-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1C)[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:
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:
4
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