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Home > Nitro Compounds > 150057-81-1
150057-81-1 | 4-nitro-N-(pentan-3-yl)aniline
CAS No: 150057-81-1 Catalog No: AG01AXJC MDL No:MFCD11124476
Product Description
Catalog Number:
AG01AXJC
Chemical Name:
4-nitro-N-(pentan-3-yl)aniline
CAS Number:
150057-81-1
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11124476
IUPAC Name:
4-nitro-N-pentan-3-ylaniline
InChI:
InChI=1S/C11H16N2O2/c1-3-9(4-2)12-10-5-7-11(8-6-10)13(14)15/h5-9,12H,3-4H2,1-2H3
InChI Key:
HGOUVSCYFMATEN-UHFFFAOYSA-N
SMILES:
CCC(Nc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
191
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:
3.6
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